data_2lkg_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 2lkg _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' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.786 0.327 . . . . 74.45 110.858 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.93 -47.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.44 111.103 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.1 -44.47 19.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.2 110.923 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.3 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.2 111.105 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.4 -28.54 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 70.21 111.148 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.79 -19.02 59.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 65.13 110.864 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -79.59 -36.83 37.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.865 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -56.05 -25.03 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.35 111.13 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -52.26 -52.23 53.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 72.01 110.913 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -61.4 -18.95 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.939 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -38.86 50.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.885 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -87.99 -28.1 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 73.01 111.124 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -18.89 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 74.54 110.822 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -72.3 -57.91 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.905 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -39.43 71.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.87 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.98 -33.72 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 71.3 111.118 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.2 m -81.07 -29.02 35.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.838 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.51 -59.08 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.23 110.896 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 tt -86.08 -19.94 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.21 111.107 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.72 -43.53 18.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 73.22 112.45 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.3 m -73.62 -29.93 62.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 71.05 111.127 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.35 -30.98 70.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -18.67 63.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.859 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.67 -20.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 73.52 111.122 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.19 -59.18 2.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.863 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.82 -22.08 33.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 74.2 111.092 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.76 -38.94 26.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 61.31 112.447 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -23.56 23.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 75.43 110.827 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.02 -38.91 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 71.44 110.939 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.47 -41.4 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.04 111.114 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.11 -59.26 5.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.9 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.09 -33.15 24.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.933 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t -59.8 -41.25 90.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.896 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -84.17 -44.05 14.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 75.21 110.905 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.85 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.02 19.51 56.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 72.44 112.473 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.11 -105.43 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 75.14 112.538 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.84 -144.3 17.13 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 73.1 112.519 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.21 -27.8 24.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 72.24 112.502 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.9 -140.29 3.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 72.22 112.46 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.54 -165.11 24.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 64.41 112.441 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -9.7 26.72 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 75.42 112.329 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.27 -22.21 59.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 72.01 110.952 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -22.91 61.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.973 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -80.48 -35.5 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.01 110.835 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -88.21 -27.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.53 111.16 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 t -75.66 -34.07 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 73.31 111.148 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.07 -24.55 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 71.31 110.917 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.7 t -86.26 -42.15 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 74.4 111.082 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.9 mm -78.44 -23.66 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.101 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.5 tt0 -51.06 -58.53 10.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.671 0.748 . . . . 74.33 110.909 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.75 -29.93 23.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.267 . . . . 74.23 112.335 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.3 m -64.19 -37.24 86.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -58.78 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 72.22 110.917 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -25.69 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.33 110.94 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -83.28 -24.85 32.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.898 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -37.62 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.82 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -80.5 -22.22 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 72.4 110.922 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.7 -42.02 67.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 70.41 110.951 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.4 m -62.45 -17.98 60.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.154 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.85 -12.74 42.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 63.13 112.457 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.9 tp -91.03 -8.41 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 73.25 110.864 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.1 -31.56 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 75.34 111.081 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.12 1.14 44.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.814 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -123.21 -57.72 1.67 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 70.31 110.917 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.0 tp -114.22 72.41 2.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 75.34 110.941 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 128.93 16.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 73.25 112.374 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.4 m -100.49 -15.79 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 75.14 111.159 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.12 -170.52 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 65.43 110.882 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -16.59 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.903 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.96 38.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.5 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.05 -68.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 64.42 110.902 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -56.21 -25.15 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.913 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.5 mtt -78.57 -61.03 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 74.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -57.5 -25.83 60.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 71.11 111.132 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.18 -31.57 38.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.31 110.9 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.3 m -85.06 -26.39 27.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.2 110.856 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -35.05 79.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 75.5 110.907 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -17.93 59.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.877 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -80.42 -28.45 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 72.55 111.137 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.66 -36.78 79.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.921 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -79.9 -33.76 39.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.891 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -81.12 -19.91 42.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 61.53 110.831 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.12 -46.17 65.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.914 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.0 t -53.51 -27.17 24.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 74.41 111.177 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -27.0 37.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.903 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -27.98 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 74.22 110.898 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.8 tp -83.18 -39.52 20.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.903 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.45 -30.43 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 72.52 110.876 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -12.21 61.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.921 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -51.78 -23.75 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.102 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.53 -19.82 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 74.53 111.151 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.69 -19.96 31.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.51 110.842 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.59 -55.52 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.871 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -138.03 81.29 27.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.668 0.747 . . . . 73.24 111.156 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -3.97 13.05 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 74.45 112.398 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -35.7 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.876 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.3 p -90.91 -15.41 29.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.23 111.142 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -52.72 -24.36 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 73.33 110.829 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.15 -18.51 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.866 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.25 -14.02 56.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.069 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.526 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.32 -57.44 8.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 73.34 111.115 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.79 -14.39 35.92 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.27 . . . . 73.52 112.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.34 -61.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 75.13 110.942 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.3 tt -76.6 -21.99 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.11 111.182 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.21 -27.02 14.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 72.23 112.471 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -60.96 -31.7 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.336 . . . . 75.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -85.2 -31.49 23.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 74.41 110.853 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -29.13 65.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 70.41 110.901 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -62.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.864 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.6 m -65.17 -36.46 84.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 72.41 111.111 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -33.81 61.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 75.45 110.897 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.94 -17.31 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 64.34 110.915 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -86.0 -36.1 19.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 70.32 110.886 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.0 p -57.73 -22.95 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 70.12 111.125 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -59.28 -21.63 59.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -30.0 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.04 110.855 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.8 p -52.12 -50.4 61.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 72.13 110.888 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.16 -24.01 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 75.13 111.157 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -51.02 63.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 75.51 110.902 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.36 -49.64 83.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.3 111.115 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -22.49 54.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 75.05 111.171 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -18.73 47.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -84.75 -33.4 23.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 74.4 110.92 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.1 -21.46 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 75.35 111.146 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.8 -28.16 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.877 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.802 0.334 . . . . 75.14 110.86 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.29 -47.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 74.21 111.094 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.6 mmt -80.24 -44.51 19.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 63.01 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.34 -18.95 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 74.23 111.121 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -28.41 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 75.22 111.138 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -86.07 -19.67 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 71.32 110.816 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -82.43 -49.63 9.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.13 110.85 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.63 -25.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.117 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tp -52.28 -52.03 55.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 60.42 110.932 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -61.79 -18.96 61.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 64.01 110.864 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.91 -38.22 46.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 65.34 110.846 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -87.97 -28.16 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.51 111.096 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -18.91 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.871 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.49 -44.52 57.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.865 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -40.59 86.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.899 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.0 mt -51.76 -36.74 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 74.42 111.126 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 m -81.0 -26.19 36.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.909 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -59.05 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.893 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.6 tt -81.9 -19.97 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 75.11 111.128 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.51 -46.95 23.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 71.22 112.53 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -51.99 -42.2 62.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 62.35 111.149 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.97 -24.56 58.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 60.02 110.911 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.02 -20.43 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.808 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.31 -20.56 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 75.21 111.072 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.61 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.34 -23.19 35.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.21 111.091 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.75 -40.73 44.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 75.04 112.479 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 -88.79 -22.35 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 74.25 110.87 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mp -78.19 -36.05 47.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.883 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.82 -39.38 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 75.3 111.124 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -45.92 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.89 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mp -51.66 -45.17 63.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 75.31 110.946 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.68 -35.73 63.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 75.41 110.874 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -61.82 -36.44 81.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.855 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -179.56 -34.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 75.43 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.48 16.27 49.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 74.22 112.471 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.51 -62.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 53.42 112.516 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.6 -133.28 49.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 75.32 112.502 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.15 -80.13 1.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 72.12 112.476 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.39 -139.49 3.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 63.41 112.469 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.49 -179.16 42.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 75.43 112.45 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -10.82 29.48 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.662 2.241 . . . . 74.04 112.353 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.31 -21.93 42.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.918 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -32.08 49.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.971 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -63.62 -56.42 15.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 74.4 110.928 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.5 m -67.8 -31.92 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 75.35 111.139 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.79 -35.21 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 75.22 111.1 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.417 ' N ' HD21 ' A' ' 55' ' ' ASN . 1.6 m-80 -86.77 -24.61 25.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.839 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.6 t -85.56 -45.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.13 111.134 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.11 -22.65 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.35 111.144 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.477 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.43 -60.76 5.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 74.45 110.863 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.4 Cg_endo -69.74 -29.81 23.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.687 2.258 . . . . 74.31 112.33 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -28.37 68.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 72.12 110.937 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -57.16 -56.65 19.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -26.88 41.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.894 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.0 -25.03 27.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 73.1 110.869 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.2 m -56.04 -41.29 74.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 72.11 110.86 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -57.03 -28.6 62.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 61.51 110.879 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.9 mt -71.09 -40.64 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.925 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -62.48 -20.02 64.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 64.42 111.153 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.55 -13.83 36.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 71.44 112.426 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 tp -91.09 -7.88 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 72.33 110.952 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.07 -31.63 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 72.3 111.111 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -98.76 1.14 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.3 110.84 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -118.54 -59.47 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.941 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 tp -142.94 75.13 17.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 73.33 110.951 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 129.28 17.38 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.692 2.261 . . . . 74.45 112.365 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -58.67 -21.38 54.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 72.11 111.14 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -176.55 -172.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.858 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -17.31 58.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 63.43 110.875 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.92 29.91 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 65.13 112.494 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -84.75 -45.98 11.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.93 0.395 . . . . 73.21 110.882 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -33.7 50.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 74.4 110.891 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.8 mtt -68.93 -55.42 11.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.849 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 t -52.59 -28.73 22.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 73.23 111.158 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -78.29 -33.31 49.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 75.54 110.927 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.43 -26.08 35.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.51 110.824 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -67.69 -49.07 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -62.2 -18.05 59.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.43 110.826 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.3 t -75.16 -22.89 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.23 111.127 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.6 mt -69.88 -34.82 74.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.882 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -27.35 28.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 75.24 110.895 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.88 -19.89 28.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.848 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.87 -42.79 66.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.912 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 t -57.01 -23.66 47.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 75.54 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -37.64 50.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.855 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -34.15 76.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.87 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.44 -36.26 24.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 75.54 110.879 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -67.93 -32.52 73.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 73.25 110.897 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -12.35 61.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 75.43 110.905 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -23.78 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.138 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.59 -19.57 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 72.23 111.158 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.2 -20.04 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.843 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.63 -55.52 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 61.4 110.896 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -138.02 81.24 27.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 74.2 111.18 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.66 12.46 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.664 2.243 . . . . 74.53 112.38 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -35.52 74.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 61.42 110.868 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.6 p -90.78 -15.46 30.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 73.31 111.125 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.7 t -52.74 -24.17 8.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.32 110.886 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -59.27 -18.37 36.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.828 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.09 -14.08 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 74.03 111.09 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.46 8.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.648 0.737 . . . . 73.25 111.118 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.78 -14.27 35.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 74.32 112.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.37 -61.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.875 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.4 tt -76.65 -22.03 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 73.41 111.165 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.74 -27.49 13.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 61.13 112.474 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -61.84 -34.96 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 75.4 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -85.35 -29.03 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.941 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -65.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.875 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -28.52 64.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.872 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -43.34 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 73.41 110.902 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.9 m -80.35 -36.79 33.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 74.01 111.156 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -28.69 60.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.853 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.04 -16.94 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.912 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -85.98 -36.82 19.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 74.13 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.5 p -56.32 -24.54 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 73.44 111.152 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.24 -21.64 59.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.901 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.1 m -58.95 -22.34 59.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 75.33 110.853 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.9 m -64.09 -56.56 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.33 110.824 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.7 pt -66.25 -28.88 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 72.22 111.11 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -64.08 -46.05 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.894 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 20.3 mt -71.62 -54.47 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 73.55 111.14 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 7.1 p -58.03 -22.53 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.22 111.133 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -18.61 47.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.85 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -82.85 -20.0 36.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.923 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -20.22 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 71.34 111.124 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -57.32 -23.58 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 75.11 111.116 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 62.51 110.907 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.801 0.334 . . . . 73.02 110.844 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.92 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 75.54 111.044 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.3 mmt -80.23 -44.57 19.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 74.51 110.876 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.31 -18.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 72.2 111.084 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.46 -28.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 72.21 111.096 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.7 -19.69 30.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.51 110.857 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.77 -41.31 19.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.86 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.56 -27.89 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.22 111.179 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -41.82 71.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.53 110.895 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -65.69 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.886 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -40.15 47.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.01 110.84 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.06 -27.69 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 75.32 111.159 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -80.9 -18.94 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.33 -50.42 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 75.44 110.868 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -35.74 80.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.15 110.883 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mt -52.18 -35.88 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.173 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.99 -25.93 36.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 64.34 110.855 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -77.56 -59.04 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.927 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -20.0 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.42 111.14 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.79 -29.69 34.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 70.31 112.497 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -92.0 -21.01 20.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 63.04 111.168 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.42 -46.6 31.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -61.23 -23.36 65.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.01 -20.49 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 70.22 111.161 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -86.2 -59.19 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.863 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.87 -22.15 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.02 111.088 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.65 -39.02 26.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 72.01 112.492 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -23.54 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 73.44 110.868 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.03 -39.01 51.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.898 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.42 -40.55 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 75.04 111.148 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.04 -59.35 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.851 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.28 -33.42 28.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.927 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -56.25 -42.16 76.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 52.24 110.857 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -78.89 -43.19 25.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 70.42 110.908 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.65 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.896 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.19 27.65 24.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 64.23 112.474 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.92 -171.06 12.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 73.22 112.489 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.74 154.14 30.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 75.3 112.532 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 51.98 -136.15 34.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 64.22 112.497 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.38 -156.73 0.19 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 73.44 112.469 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.76 -179.54 19.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 61.4 112.496 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -10.73 29.34 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.642 2.228 . . . . 74.42 112.366 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.63 -25.9 41.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.971 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -69.77 -37.18 76.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 75.45 110.858 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -31.02 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 74.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.8 t -88.13 -28.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 73.24 111.125 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.6 t -80.82 -29.26 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.41 111.141 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -87.53 -24.69 23.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.911 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -89.11 -27.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 74.02 111.153 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.14 -26.1 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 70.24 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mt-10 -51.31 -60.13 6.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.604 0.716 . . . . 71.44 110.865 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.79 -33.65 16.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 72.23 112.345 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -63.29 -31.01 72.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -57.45 11.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.8 40.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 75.04 110.879 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -24.86 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 71.13 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -37.18 73.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 72.33 110.816 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.57 -22.07 54.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.25 110.907 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.1 mt -69.17 -34.55 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.11 110.899 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.0 m -62.57 -19.49 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 73.44 111.193 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.19 -14.31 33.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 61.51 112.524 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 tp -91.09 -8.59 48.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 75.44 110.91 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.08 -31.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.4 111.148 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -97.89 1.19 47.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 72.3 110.89 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -118.74 -60.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.89 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.1 tp -142.66 74.93 18.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 71.22 110.871 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 129.34 17.49 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.258 . . . . 73.13 112.361 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.2 m -57.44 -22.95 46.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 62.31 111.123 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -176.16 -172.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 74.44 110.861 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.8 p -62.33 -17.3 58.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.0 110.913 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.24 30.13 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 62.41 112.431 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.47 -43.93 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 60.35 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.05 -33.9 33.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.878 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.3 mtt -69.39 -52.08 30.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.875 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -53.21 -28.84 28.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.118 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -77.3 -32.15 55.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 74.45 110.908 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -21.04 29.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 71.35 110.885 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -73.95 -47.6 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 75.44 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -62.14 -17.97 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 74.22 110.838 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.4 t -72.12 -22.97 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 65.14 111.124 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 37.6 mt -83.71 -37.09 23.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.92 -34.13 39.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.914 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.6 p -80.39 -19.97 45.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.871 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -69.19 -45.58 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.936 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.0 t -53.46 -27.28 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 73.23 111.152 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -26.92 35.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 71.43 110.897 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -27.95 29.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.03 110.938 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.2 -33.45 26.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.906 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -64.05 -24.31 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 75.55 110.885 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -12.12 60.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.898 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -23.89 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 75.52 111.106 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.37 -19.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.2 111.099 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.98 -20.35 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 64.54 110.879 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.63 -55.44 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 73.22 110.941 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.9 mp -137.92 82.01 26.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 75.21 111.142 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -3.27 11.68 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 73.33 112.321 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -11.58 60.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.894 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.7 p -79.95 -14.12 58.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 64.21 111.155 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -49.37 -26.66 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.842 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -43.4 70.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.878 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.37 -15.08 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.43 111.154 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.534 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.6 -56.99 9.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 74.15 111.131 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.8 -14.21 35.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 71.35 112.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -43.58 14.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.909 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.4 tt -89.06 -22.12 6.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 75.51 111.135 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.92 -27.23 12.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 60.12 112.467 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -61.2 -33.96 74.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 73.33 110.872 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -85.34 -35.63 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.958 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 72.24 110.879 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.35 -25.01 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.896 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -42.4 88.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.858 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 93.7 m -66.23 -50.2 64.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 64.04 111.143 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -56.53 -34.24 66.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.908 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.99 -17.04 36.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.01 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -85.97 -38.43 17.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 73.24 110.899 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.65 -23.11 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 70.52 111.117 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -59.14 -21.69 59.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.891 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 m -60.25 -38.39 83.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 71.5 110.844 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.8 m -52.08 -35.96 49.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 73.22 110.834 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.9 mp -84.08 -34.57 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 62.11 111.12 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -51.35 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.25 110.897 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.3 mt -60.11 -54.17 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 55.24 111.121 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -22.56 59.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 73.23 111.142 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -60.16 -18.46 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -84.71 -19.87 32.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.903 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.56 -25.72 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 73.45 111.123 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.77 -22.89 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 73.51 111.127 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.0 t30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 75.05 110.884 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 m80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 72.43 110.831 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.13 -47.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 70.01 111.125 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.38 -44.51 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.12 110.853 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.29 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 72.15 111.158 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.43 -28.54 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 70.33 111.108 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.77 -18.44 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.879 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.68 -39.29 31.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.9 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.92 -25.01 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.102 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -50.31 63.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 75.21 110.904 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -61.67 -18.92 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.882 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -38.44 47.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 72.44 110.861 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.08 -28.24 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 65.54 111.116 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.93 -18.89 45.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 75.41 110.871 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -71.89 -58.06 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.838 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -42.81 67.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.891 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.4 mt -51.78 -35.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.5 111.117 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -27.22 35.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.52 110.832 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -66.12 -58.95 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tp -82.53 -19.92 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 72.23 111.097 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.2 -15.99 81.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 62.45 112.494 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 p -86.47 -32.8 20.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 71.51 111.173 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -71.47 -39.99 70.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 63.54 110.869 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.2 t -60.13 -27.52 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.821 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.3 t -66.59 -20.49 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.44 111.165 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -86.79 -55.7 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.829 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.14 -22.59 29.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.32 111.078 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.48 -40.67 32.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 74.11 112.449 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.54 -20.35 25.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 74.15 110.876 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.11 -38.08 32.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.918 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.67 -50.01 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 70.21 111.171 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.79 -59.15 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.883 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.43 -33.87 32.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 64.1 110.929 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -69.0 -43.44 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 55.12 110.84 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.43 -42.39 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 62.34 110.93 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -179.63 -34.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.59 16.69 61.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 65.24 112.49 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -128.59 -179.2 15.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 62.13 112.476 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.06 114.37 1.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 60.44 112.526 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.22 -120.78 11.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 43.44 112.481 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.29 -152.99 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.724 . . . . 63.43 112.517 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.14 -164.89 23.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 72.13 112.457 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.66 26.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.659 2.239 . . . . 74.34 112.353 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.3 -25.99 59.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -25.68 68.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.933 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -76.74 -53.67 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 75.03 110.849 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.2 m -68.05 -32.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.105 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 t -71.91 -39.22 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 62.21 111.157 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -82.33 -24.72 34.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 t -84.97 -45.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 72.44 111.108 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.6 mm -74.96 -22.63 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 72.21 111.101 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.465 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.0 mt-10 -50.91 -60.66 5.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 70.15 110.883 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.74 -33.07 17.39 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 71.32 112.335 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.58 -30.69 71.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.846 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -56.99 -59.34 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -25.73 41.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.958 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -24.9 31.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.854 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -36.55 74.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 75.44 110.845 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.38 -21.01 53.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.907 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.3 mt -71.28 -35.43 71.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.909 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 m -62.39 -20.87 64.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.45 111.147 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.58 -12.9 42.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 60.12 112.491 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.1 tp -91.09 -10.33 42.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 74.31 110.914 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.11 -31.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.125 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -97.32 1.09 49.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.903 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -123.52 -58.02 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 75.44 110.908 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.3 mt -113.67 73.87 2.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.722 . . . . 71.12 110.882 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.0 16.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 70.14 112.349 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.3 p -109.58 -13.16 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 75.34 111.121 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -177.33 -179.12 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.881 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 p -59.54 -21.04 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 62.14 110.834 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.52 40.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 74.22 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.29 -48.19 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 75.14 110.869 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -19.87 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.912 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.0 mtt -78.35 -41.34 33.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.906 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 t -56.16 -26.07 49.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 64.42 111.135 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -88.03 -19.97 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.919 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 m -77.11 -27.68 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 71.05 110.847 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -85.06 -37.04 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.917 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -62.19 -18.03 59.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.847 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 66.1 t -71.45 -29.89 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.42 111.122 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.8 mt -86.0 -34.26 20.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.12 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -35.57 51.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.904 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.9 t -81.03 -19.98 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 64.15 110.884 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.52 -47.71 38.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.92 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 t -53.47 -27.69 26.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 73.53 111.138 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -37.84 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.916 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -83.64 -22.9 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 70.21 110.932 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.0 tp -77.12 -38.85 51.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 72.2 110.933 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -68.3 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.861 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -11.96 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.864 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -23.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 62.4 111.094 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.4 p -57.42 -19.83 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 74.41 111.152 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -19.87 31.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 63.2 110.936 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.58 -55.41 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.95 80.97 28.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 75.24 111.14 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -3.58 12.31 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.283 . . . . 74.43 112.297 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -35.62 75.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 72.45 110.862 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.85 -15.61 29.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 73.12 111.096 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -24.2 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 64.43 110.849 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -59.2 -18.42 36.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 54.12 110.851 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.06 -14.2 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 72.34 111.078 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.534 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.45 -57.52 8.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.633 0.73 . . . . 74.01 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.74 -14.22 35.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.623 2.215 . . . . 74.13 112.381 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.3 -61.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.953 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.9 tt -76.99 -21.91 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 72.23 111.154 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.99 -27.15 12.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 74.3 112.493 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -61.07 -33.47 73.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 74.24 110.879 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -85.34 -30.74 23.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.894 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 71.45 110.842 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -24.93 68.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 75.3 110.898 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -62.01 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.875 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 76.7 p -65.28 -36.03 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 63.33 111.138 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -35.39 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 75.41 110.914 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 -21.17 41.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -85.97 -27.25 25.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.943 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.02 -26.23 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 74.1 111.121 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.6 -19.96 59.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 62.3 110.896 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 m -52.05 -31.51 30.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.859 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -53.39 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.829 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 33.0 pt -75.86 -28.57 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 74.24 111.109 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -66.75 -43.61 83.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.875 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 20.1 mt -69.54 -57.34 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 70.24 111.137 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 8.9 p -58.05 -22.48 50.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 75.34 111.123 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -18.59 48.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 64.51 110.896 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -82.58 -21.13 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.4 -19.02 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 75.53 111.188 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -61.15 -23.3 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 73.21 111.153 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 65.54 110.898 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.849 0.357 . . . . 74.43 110.838 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.59 -47.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 72.44 111.097 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.8 mmt -80.22 -44.53 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 72.01 110.88 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.29 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 72.15 111.13 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.41 -28.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 73.3 111.127 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.77 -19.55 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.841 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -83.96 -41.48 17.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 72.51 110.808 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -53.12 -28.39 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 75.04 111.174 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.96 -48.6 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.921 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -60.66 -29.29 69.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.899 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -38.6 90.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 65.14 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.11 -28.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 65.12 111.167 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -18.95 45.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.55 110.876 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -73.17 -57.62 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.1 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -51.51 -41.1 60.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.5 mt -54.22 -34.77 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 73.13 111.123 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 t -81.02 -20.99 40.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.875 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -58.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 75.43 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -83.61 -20.05 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.138 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.03 -26.18 71.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 71.22 112.464 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.6 m -91.93 -36.44 13.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.741 0.305 . . . . 61.45 111.146 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.53 -35.51 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 64.24 110.908 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.8 t -65.94 -17.99 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 62.4 110.852 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.57 -20.54 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 75.35 111.157 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.79 -55.53 3.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.898 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -22.64 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.088 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.64 -40.61 31.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 64.44 112.463 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.53 -20.03 25.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 70.31 110.862 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.53 -38.17 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.947 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.69 -47.4 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.41 111.123 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -57.54 -59.25 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.05 110.928 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.67 -33.7 34.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 75.15 110.949 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -39.87 86.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 63.05 110.869 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.88 -41.92 15.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 74.51 110.883 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.4 -45.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.91 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.0 27.93 23.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.759 . . . . 74.54 112.526 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.68 175.96 37.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 73.01 112.455 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.29 156.5 7.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 70.43 112.505 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.2 -62.19 5.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 73.4 112.477 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.39 147.19 47.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 65.53 112.464 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.38 -179.58 50.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 64.13 112.47 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -10.89 29.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 74.25 112.349 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.49 -26.64 41.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.05 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.03 -38.28 90.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.947 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -30.46 71.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.865 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.71 -27.96 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.42 111.111 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.9 -28.41 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 72.13 111.155 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -24.68 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.34 110.905 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.98 -28.09 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 75.31 111.129 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.3 mm -91.24 -25.94 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.153 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.31 -60.18 6.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 72.05 110.908 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.74 -33.83 15.86 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.695 2.263 . . . . 74.24 112.333 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.4 -30.32 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.883 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -56.57 -60.46 3.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -25.56 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 75.33 110.863 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -24.78 33.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.859 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -36.04 81.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 60.3 110.875 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.26 -21.17 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 62.45 110.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.39 -31.22 71.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.05 110.917 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 m -62.61 -21.16 65.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 62.32 111.136 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.46 -13.25 42.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 53.01 112.484 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.3 tp -91.08 -9.59 45.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 73.23 110.937 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.04 -31.68 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.138 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -97.86 1.15 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -123.08 -58.85 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 71.23 110.905 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 tp -113.62 74.03 2.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 75.54 110.891 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.08 16.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 73.24 112.33 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.1 p -108.94 -13.8 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.32 111.121 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -177.18 -179.31 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 74.24 110.837 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -59.6 -20.96 59.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 54.21 110.885 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -175.34 35.59 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 62.31 112.46 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.97 -47.04 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.931 0.396 . . . . 74.31 110.906 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -81.02 -23.96 38.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 74.43 110.881 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.7 mtt -78.93 -48.85 13.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 62.44 110.875 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 t -55.27 -28.43 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 50.22 111.147 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -88.06 -19.95 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.97 -24.26 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.872 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -85.04 -36.96 20.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.863 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.1 t -62.15 -17.96 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 71.41 110.869 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.8 t -72.14 -25.57 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 74.41 111.08 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.5 mt -85.97 -32.16 21.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 74.2 110.926 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -33.94 38.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.88 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.4 t -81.05 -19.93 42.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 75.13 110.868 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.77 -46.68 57.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 73.51 110.892 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 t -53.63 -27.38 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.23 111.163 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -30.35 59.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.891 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -23.01 32.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.901 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -32.44 30.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.907 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -68.79 -33.88 74.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.42 110.902 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -12.06 61.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.856 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 tp -51.83 -23.35 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.31 -19.83 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.31 111.093 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -20.08 31.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 63.24 110.866 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.64 -55.01 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.89 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.9 mp -137.79 81.0 29.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.74 . . . . 72.33 111.122 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -2.19 9.76 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 74.45 112.348 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 t -68.83 -12.21 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 71.34 110.859 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.4 p -90.16 -14.18 34.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 62.22 111.167 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.3 m -49.58 -26.36 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 73.52 110.877 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 m -70.1 -43.35 71.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.845 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.5 -15.09 43.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.54 111.126 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.74 -57.03 9.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 71.42 111.172 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.78 -13.63 34.89 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 71.01 112.371 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.22 -44.58 13.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.928 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.7 tt -89.09 -22.09 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 72.05 111.098 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.82 12.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 74.12 112.486 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -59.76 -31.09 69.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 75.13 110.897 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -85.42 -30.22 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.961 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -65.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 71.55 110.839 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.7 -28.26 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.942 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -59.84 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.871 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.9 m -63.42 -38.28 90.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 75.53 111.187 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -23.07 67.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.881 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -84.74 -35.13 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.873 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.14 -21.62 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.926 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.14 -25.11 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 74.44 111.12 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.46 -25.65 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.906 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -33.73 70.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 72.15 110.823 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -59.47 -40.42 86.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.872 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.97 -32.08 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 74.21 111.104 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -42.94 99.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.15 110.869 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.32 -43.52 91.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 74.14 111.127 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -22.57 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 75.41 111.168 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.2 -18.4 48.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.876 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -84.66 -19.9 32.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.48 -25.56 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 71.51 111.135 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.3 tp -78.17 -22.81 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 75.22 111.143 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.906 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.2 m170 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.843 0.354 . . . . 75.55 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.77 -47.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 75.12 111.097 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.23 -44.57 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.27 -18.95 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 75.42 111.143 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.41 -28.49 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.2 111.128 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -85.81 -26.33 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.861 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -48.44 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.839 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.14 -24.97 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.143 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.2 tp -53.7 -47.16 70.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 71.02 110.895 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -18.85 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.875 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -38.87 49.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 61.51 110.864 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.07 -28.23 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.141 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -18.94 45.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.905 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -70.75 -57.0 5.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.32 110.891 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -46.06 64.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 72.35 110.903 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.5 mt -51.91 -38.14 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.33 111.151 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -23.91 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 72.43 110.884 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -59.04 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.3 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 pt -85.98 -20.07 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.101 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.32 -34.52 89.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 64.44 112.47 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 t -92.02 -29.09 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 74.24 111.133 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.63 -17.98 64.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 t -80.52 -17.96 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 65.11 110.86 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.75 -20.48 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.117 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.15 -59.26 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.884 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.74 -22.4 35.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 73.05 111.154 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.17 -39.42 27.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 74.3 112.445 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -23.84 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 74.53 110.849 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -76.28 -39.35 54.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 72.34 110.985 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.47 -40.85 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 75.1 111.179 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -62.77 -59.09 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.25 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -50.41 -33.03 19.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.928 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -41.07 97.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.882 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -78.7 -41.49 30.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -179.52 -34.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.883 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.96 22.21 40.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 52.35 112.476 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.15 -142.54 5.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 72.01 112.489 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.54 106.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 71.1 112.48 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.14 -134.22 36.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 74.43 112.465 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.24 172.18 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 75.24 112.513 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.03 -164.94 25.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 74.22 112.51 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -9.84 27.07 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.683 2.255 . . . . 74.11 112.353 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.16 -29.39 61.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -34.43 66.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.923 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.13 -39.96 91.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.52 -26.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 73.45 111.102 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.28 -31.75 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 62.34 111.129 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.25 -24.64 22.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 61.02 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 t -85.99 -45.24 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.45 111.152 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mm -74.77 -22.63 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.102 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.472 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mm-40 -51.96 -60.63 5.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 72.24 110.898 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.1 Cg_endo -69.78 -25.17 28.8 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 70.14 112.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -30.87 71.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.882 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -59.42 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.919 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.38 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.67 -24.78 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.852 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.5 m -53.05 -38.17 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 73.5 110.853 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.62 -23.13 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 75.01 110.89 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.6 mt -69.0 -33.7 74.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 72.03 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -62.67 -20.11 64.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.43 111.148 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.01 -13.62 39.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 63.44 112.488 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.3 tp -91.05 -8.62 48.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 54.11 110.891 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.07 -31.88 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.03 111.112 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -97.83 1.06 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.889 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -118.77 -60.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.15 110.962 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.1 mt -141.64 74.78 22.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 70.44 110.904 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 129.43 17.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 74.01 112.329 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.7 m -58.31 -21.78 50.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.54 111.157 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -176.72 -172.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 72.53 110.899 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.21 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.52 110.837 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.12 30.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 71.13 112.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.82 -44.47 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.947 0.404 . . . . 63.34 110.939 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.0 -32.93 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 73.44 110.902 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.8 mtt -70.07 -51.55 31.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.906 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -54.32 -28.68 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.132 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.52 -26.17 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.898 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -25.89 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.843 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -84.99 -36.7 21.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.91 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -17.95 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.889 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.01 -27.29 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 73.13 111.137 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.4 mt -86.03 -36.01 19.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.2 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -35.36 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.916 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -80.66 -19.94 44.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.817 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.25 -47.48 49.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.933 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 t -53.42 -27.57 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.45 111.086 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -30.97 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -22.93 32.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.889 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.1 tp -82.47 -45.79 14.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.91 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -60.67 -27.28 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -12.45 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.859 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.7 tp -51.84 -23.94 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 74.15 111.101 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -57.58 -19.81 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.53 111.149 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -19.87 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.63 -55.28 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.907 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.93 80.79 29.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 72.32 111.143 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.21 11.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 73.33 112.382 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.8 t -69.53 -35.44 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 70.22 110.864 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.64 -15.6 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.13 111.147 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -53.16 -23.75 9.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.865 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.19 -18.36 35.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.844 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.94 -14.29 56.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 73.41 111.089 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.522 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.46 -57.49 8.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.65 0.738 . . . . 61.43 111.171 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.81 -14.07 35.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 75.02 112.339 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.888 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.8 tt -77.25 -21.99 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.43 111.104 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.06 -26.97 12.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 75.32 112.489 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.26 -31.8 70.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 75.23 110.906 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -85.39 -34.45 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.894 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -65.19 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.912 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.59 -25.01 64.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.893 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -62.02 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.867 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.3 m -66.71 -38.29 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 74.11 111.17 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -54.02 -29.19 42.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 72.31 110.89 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -85.55 -25.44 26.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.91 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.07 -23.37 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 74.45 110.926 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.65 -23.08 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 75.41 111.138 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.68 -19.98 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 72.43 110.89 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -20.6 65.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 72.43 110.868 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 p -80.23 -37.71 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 72.33 110.822 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.6 pt -84.04 -26.41 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.45 111.102 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -76.55 -20.82 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.932 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 26.1 mt -85.07 -42.66 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.4 111.122 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 39.4 p -79.19 -22.53 44.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.21 111.158 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.07 -18.62 48.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -83.16 -20.53 34.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.905 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.31 -19.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 73.01 111.142 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -64.57 -23.03 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.44 111.172 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 62.24 110.854 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.815 0.341 . . . . 65.3 110.836 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.4 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 61.44 111.099 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.0 mmm -78.27 -43.77 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 71.12 110.865 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -90.29 -19.19 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 71.35 111.098 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.3 -28.37 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.23 111.144 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.51 -24.31 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 70.42 110.865 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -43.02 56.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 72.45 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.17 -25.05 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 74.53 111.103 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.89 -53.14 44.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 75.51 110.944 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -61.65 -18.86 61.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.88 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -38.68 48.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.858 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.09 -28.2 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 73.02 111.091 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.92 -18.9 45.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 70.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.32 -56.98 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.87 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -36.38 80.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.891 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.2 mt -51.73 -33.24 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 73.55 111.092 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.04 -30.24 34.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 60.3 110.86 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -59.06 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 72.5 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -23.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 71.53 111.123 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -83.99 -55.97 2.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.691 -0.766 . . . . 75.43 112.504 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -52.03 -34.64 44.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 72.2 111.137 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.71 -34.62 74.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.866 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -82.0 -22.87 36.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 75.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.22 -20.59 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.179 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.17 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 72.45 110.886 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.55 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 71.51 111.097 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.93 -38.55 22.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 74.13 112.516 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -23.86 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 74.14 110.869 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.0 -39.77 49.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.884 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.55 -40.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 75.13 111.131 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.69 -59.02 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.921 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -50.46 -35.82 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.921 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -38.94 73.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 71.12 110.852 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -64.87 -38.66 91.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 65.1 110.927 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.51 -41.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 63.22 110.89 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.13 27.43 22.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 65.12 112.515 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.66 -171.57 13.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 52.14 112.501 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.63 -146.8 18.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 74.42 112.531 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.87 -116.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 72.31 112.51 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.19 159.0 2.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 63.34 112.452 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.94 -165.43 29.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 71.53 112.534 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -9.69 26.71 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.719 2.28 . . . . 73.24 112.286 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.48 -31.01 62.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 65.32 110.929 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -29.37 55.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 72.12 110.95 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -36.38 80.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 74.3 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.07 -26.32 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 75.1 111.126 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.7 -31.51 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 70.4 111.131 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.17 -24.7 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.905 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 t -86.1 -45.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.14 111.112 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.4 mm -74.64 -22.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 73.52 111.127 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.93 -60.74 5.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.73 . . . . 64.55 110.918 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.8 Cg_endo -69.75 -24.97 29.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.714 2.276 . . . . 74.33 112.37 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.31 70.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.25 110.938 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -56.65 -59.76 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.34 40.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 71.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.71 -24.74 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.852 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -38.98 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.85 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -65.06 -25.62 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 75.42 110.842 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -68.95 -34.21 74.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 71.22 110.92 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -62.64 -20.49 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.13 111.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.97 -13.77 38.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 63.42 112.519 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.08 -9.2 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 75.43 110.907 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.12 -31.85 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 74.04 111.099 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -97.31 1.11 49.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -119.0 -60.58 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 71.32 110.921 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.55 74.7 23.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 74.21 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.47 17.65 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.25 . . . . 72.45 112.335 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 100.0 m -57.58 -22.79 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.12 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -176.41 -172.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.6 p -62.46 -17.24 59.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.893 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.81 30.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 64.21 112.466 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.75 -44.35 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 73.24 110.903 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.04 -34.19 32.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 61.53 110.853 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.4 mtt -68.69 -51.87 37.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 71.55 110.89 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 t -54.06 -28.67 40.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 75.34 111.146 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.92 -28.1 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 75.15 110.907 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -84.97 -26.11 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.91 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.98 -33.37 22.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 73.55 110.914 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -18.02 59.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.852 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.6 t -86.52 -23.0 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 72.54 111.15 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.9 mt -69.37 -36.29 76.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.92 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.69 -34.15 40.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.914 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -19.96 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.883 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 tp -70.16 -46.05 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 72.34 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.0 t -53.53 -27.02 23.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 72.22 111.136 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -26.32 36.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 73.03 110.919 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -28.65 56.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 64.14 110.886 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -36.08 25.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.927 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.53 -23.03 48.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 63.42 110.909 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -12.46 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.9 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -24.46 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.102 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.4 p -57.74 -19.42 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.15 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -85.3 -20.1 30.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.05 110.903 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.8 -55.31 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 72.33 110.935 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.9 mp -137.85 81.68 27.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 75.44 111.178 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -2.83 10.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 72.43 112.323 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.2 t -69.15 -11.74 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 64.42 110.887 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.8 p -80.12 -14.03 58.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 75.41 111.185 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 t -49.36 -26.58 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.3 110.818 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -43.43 71.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.859 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.5 -14.98 44.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.15 111.129 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.64 -56.92 9.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 72.24 111.155 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.77 -14.32 35.9 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.273 . . . . 62.53 112.356 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -43.41 14.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 70.13 110.914 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.4 tt -89.11 -21.98 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.42 111.089 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.34 -27.83 12.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 63.12 112.438 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -62.07 -36.62 82.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 74.54 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.45 -33.03 21.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 72.01 110.92 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.7 mtp -51.89 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 65.13 110.914 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -60.25 -26.98 66.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 73.2 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -47.55 68.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.918 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 31.9 m -57.91 -55.23 37.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 72.13 111.144 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -51.94 -43.85 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.932 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.62 -41.73 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 74.32 110.864 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.8 -23.81 60.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.909 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.71 -23.0 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.45 111.17 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.26 -21.67 59.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 71.14 110.87 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.5 p -54.88 -30.11 57.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 75.54 110.834 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -56.55 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.837 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 42.8 pt -64.74 -26.7 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.143 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -72.19 -48.68 41.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.876 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.72 -42.05 94.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 75.42 111.145 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 5.4 p -69.34 -22.56 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.143 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.24 -18.34 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.884 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -84.68 -19.84 32.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.909 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.51 -25.61 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.12 111.138 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.3 tp -78.08 -22.87 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.25 111.121 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.885 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.797 0.332 . . . . 73.41 110.823 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.29 -47.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 61.11 111.068 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.2 mmt -80.3 -44.5 19.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.24 -19.03 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 75.42 111.11 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.38 -28.52 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.21 111.113 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.22 -20.49 60.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 64.25 110.857 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.1 -48.16 10.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.55 110.828 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.4 mt -56.17 -24.94 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 75.15 111.13 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -50.72 62.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 64.32 110.972 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -61.26 -18.87 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.01 110.898 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.72 -39.4 52.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.862 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -28.13 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.098 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.72 -18.98 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -70.06 -43.04 72.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.1 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.53 -46.07 63.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.893 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mp -52.48 -38.15 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 73.3 111.192 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.3 m -81.0 -22.11 39.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.892 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -58.99 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.89 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.8 tt -82.82 -19.96 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.117 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.2 -20.53 79.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 62.32 112.472 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -76.66 -40.41 49.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 65.13 111.148 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.82 -23.95 65.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.893 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -73.27 -21.85 60.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 65.01 110.853 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 t -68.73 -20.47 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 71.4 111.092 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -59.16 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.881 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.6 -22.57 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.3 111.129 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.73 -39.61 28.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 72.2 112.501 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -22.96 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 73.31 110.896 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -77.16 -38.88 50.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.971 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.61 -41.68 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.22 111.127 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.61 -57.69 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.871 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.42 -31.02 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 64.43 110.918 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -64.32 -51.62 62.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.88 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -74.41 -56.63 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 64.43 110.902 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.45 52.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.859 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.53 -16.78 72.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 62.01 112.51 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -102.84 79.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 73.24 112.487 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.74 -112.5 1.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 54.1 112.528 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.19 -94.37 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 53.53 112.482 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.92 -178.98 14.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 73.43 112.533 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.74 -177.96 18.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.468 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -10.84 29.5 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 74.22 112.319 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.46 -24.71 39.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.934 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.83 -37.66 86.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 65.23 110.95 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -49.04 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.03 110.87 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.0 t -72.41 -31.42 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 74.41 111.112 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.92 -34.6 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 72.52 111.142 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.16 -24.31 26.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.2 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.5 t -86.45 -44.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 70.54 111.167 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -74.91 -23.56 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.155 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.473 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.4 mm-40 -51.59 -60.7 5.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.672 0.748 . . . . 74.24 110.915 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.4 Cg_endo -69.75 -23.64 30.59 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.616 2.211 . . . . 74.54 112.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -32.76 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 72.01 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -54.4 -60.47 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -56.02 -25.11 43.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.908 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.56 -24.72 33.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.826 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.3 m -52.91 -29.11 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 72.34 110.866 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -57.02 -24.14 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.15 110.884 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.38 -47.85 31.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.943 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.0 p -66.34 -13.46 60.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 74.54 111.143 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.84 -14.1 32.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 63.21 112.472 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -17.26 26.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 75.23 110.897 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t -94.64 -31.89 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 71.55 111.145 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -91.33 1.06 57.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.862 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -105.8 -66.02 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.951 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.1 tp -150.72 71.99 8.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 73.05 110.948 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 129.25 17.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 72.51 112.336 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -112.43 43.68 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 63.11 111.142 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.81 166.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.899 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 m -65.9 -14.36 61.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.855 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.21 43.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.752 . . . . 71.43 112.47 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.93 -60.7 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 74.34 110.897 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.16 -20.03 42.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.888 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.6 mtt -68.57 -54.41 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.891 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t -54.02 -31.56 51.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.11 111.156 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -88.03 -20.02 26.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.931 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.21 -21.02 31.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.883 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -77.93 -53.29 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.9 m -62.1 -17.96 59.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 64.1 110.871 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.13 -31.6 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 70.4 111.108 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.96 -33.68 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 52.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -27.85 28.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 71.5 110.887 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 t -87.17 -19.8 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.861 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -42.1 62.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 72.11 110.893 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -58.3 -22.07 51.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 71.33 111.116 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.51 -38.99 56.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.899 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -33.26 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.883 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 tp -83.41 -47.2 11.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.909 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.64 -24.99 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.921 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -12.6 61.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.918 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 tp -51.77 -23.78 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 71.25 111.108 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.22 -20.17 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.21 111.106 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -19.48 33.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.852 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.54 -55.05 2.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.94 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.78 79.84 32.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 75.12 111.155 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -2.89 10.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 71.13 112.365 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 p -69.51 -35.63 75.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 71.32 110.862 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.4 p -90.93 -15.55 29.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.54 111.126 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 t -53.32 -23.79 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 53.12 110.836 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -59.16 -18.58 37.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 73.33 110.852 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.2 -14.03 56.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 64.01 111.107 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.42 8.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.73 . . . . 73.01 111.125 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.76 -14.24 35.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 71.01 112.328 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.45 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.8 tt -76.9 -21.95 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.24 111.104 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.13 -26.59 12.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 73.01 112.439 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -59.57 -29.84 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.771 0.32 . . . . 75.11 110.868 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -85.29 -35.31 21.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 75.22 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.841 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.13 -25.53 63.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.918 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -61.64 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.882 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.7 m -67.52 -37.14 82.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 75.34 111.17 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -57.06 -25.8 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.933 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -81.91 -20.92 37.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.887 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -84.11 -21.06 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.0 -27.38 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 74.03 111.103 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -19.98 59.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.869 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 t -60.72 -24.61 65.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.845 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.4 m -72.59 -56.51 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 72.21 110.834 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.0 pt -60.78 -24.02 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 73.2 111.149 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -50.33 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.875 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 33.8 mt -65.97 -43.0 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 75.34 111.164 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.3 p -71.33 -22.52 61.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 63.13 111.145 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -18.35 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.875 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -19.85 31.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 64.15 110.9 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.66 -25.73 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 74.52 111.153 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.58 -22.85 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 72.32 111.167 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.899 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.766 0.317 . . . . 73.31 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.66 -47.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 52.34 111.119 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.9 mmt -80.16 -44.58 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 72.3 110.891 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.25 -18.97 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.32 111.191 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -28.52 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 64.42 111.159 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -76.62 -21.12 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 63.54 110.848 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -78.18 -22.11 49.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.794 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mm -77.56 -24.95 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 75.4 111.133 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -42.43 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.906 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -53.0 -33.27 50.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.933 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t -66.47 -32.29 73.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.91 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -88.13 -32.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.43 111.13 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -18.92 46.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 65.43 110.86 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.58 -45.24 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 63.12 110.903 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -44.83 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.882 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.3 mt -51.76 -43.0 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.22 111.121 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 m -81.1 -20.98 40.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.831 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -68.67 -59.06 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 72.52 110.878 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -86.07 -20.0 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 74.21 111.114 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.11 -52.37 6.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 75.45 112.487 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.5 m -51.95 -48.9 64.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 71.05 111.17 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.88 -23.2 65.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.872 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -82.0 -28.35 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.892 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.29 -20.47 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 70.54 111.134 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -86.65 -56.62 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -23.12 34.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.116 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.82 -40.81 43.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 61.01 112.494 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 -88.73 -22.38 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 71.31 110.891 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.17 -36.09 47.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.86 -39.57 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 71.33 111.152 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.67 -45.74 61.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.888 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.5 -37.2 47.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.895 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -45.38 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.87 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.98 -43.71 63.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.937 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -179.45 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.885 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.22 23.64 33.87 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 74.23 112.449 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.78 -157.93 13.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.689 -0.767 . . . . 72.23 112.469 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.16 169.82 18.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 74.12 112.481 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.16 -88.83 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.748 . . . . 71.23 112.479 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.83 159.4 3.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 61.14 112.479 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.83 -179.68 38.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 70.11 112.505 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.76 29.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.667 2.245 . . . . 74.42 112.34 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.39 -29.86 37.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.922 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -39.31 86.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.924 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -31.13 72.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.4 110.837 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.7 t -88.16 -28.39 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 74.31 111.115 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.93 -28.21 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.34 111.124 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.78 -24.72 22.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 62.44 110.84 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -89.0 -28.09 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.1 111.168 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.1 mm -91.19 -25.93 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.44 111.135 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.478 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mt-10 -51.25 -60.22 6.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 74.43 110.879 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.6 Cg_endo -69.8 -33.79 15.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.7 2.267 . . . . 71.2 112.316 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -63.68 -29.89 71.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 74.03 110.845 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -59.24 5.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 72.5 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -25.77 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.35 110.894 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -24.83 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.909 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -38.61 65.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 62.32 110.878 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -78.04 -23.82 48.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 62.04 110.855 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.79 -33.34 74.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 74.32 110.918 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.1 m -62.66 -19.95 64.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 75.04 111.075 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.05 -13.62 38.99 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 63.23 112.449 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.4 tp -91.1 -7.94 50.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 73.42 110.91 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.92 -31.77 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.52 111.165 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -98.59 1.11 46.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.866 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -118.51 -59.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 65.25 110.894 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 tp -141.73 75.01 22.22 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.651 0.738 . . . . 74.5 110.906 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.34 17.41 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 52.54 112.344 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.0 m -60.55 -19.01 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 73.35 111.147 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.78 -171.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.806 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.2 p -64.58 -15.67 61.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.834 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.1 31.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 74.43 112.489 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -85.5 -45.71 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 72.25 110.865 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.64 -32.48 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 73.21 110.868 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.7 mtt -71.15 -53.68 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.842 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 t -53.82 -28.02 33.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.35 111.193 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -83.08 -28.34 29.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.904 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.01 -20.98 29.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 71.25 110.881 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -84.68 -38.73 19.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.881 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -18.02 59.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.865 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.62 -31.1 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.173 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.97 -34.46 20.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 73.53 110.911 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -76.34 -36.52 58.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.867 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.0 t -81.01 -19.88 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 54.22 110.846 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 tp -74.8 -48.13 27.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.879 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.4 t -53.71 -27.45 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 72.02 111.134 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.34 -33.14 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 71.34 110.895 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -83.57 -22.95 32.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.908 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.9 tp -81.58 -38.04 26.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 74.52 110.914 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -70.69 -26.09 63.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.02 110.875 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -10.32 59.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.869 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.7 tp -50.19 -25.05 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.13 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.22 -19.9 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.137 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -83.92 -20.24 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.905 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.74 -54.95 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.916 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.82 80.99 29.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 74.21 111.158 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -3.42 11.93 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.661 2.241 . . . . 65.55 112.388 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -35.8 75.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.53 110.839 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.9 p -91.1 -15.62 29.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 71.31 111.149 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.4 t -56.93 -20.59 24.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.832 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -59.11 -18.45 35.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 74.22 110.852 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.06 -14.13 56.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.03 111.095 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.46 8.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 74.11 111.153 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.2 Cg_endo -69.8 -14.17 35.58 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 74.41 112.319 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.44 -61.3 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.893 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.8 tt -76.79 -21.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 62.22 111.151 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -49.88 -28.74 12.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 62.12 112.504 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -64.34 -39.18 93.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 75.15 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -85.13 -22.5 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.14 110.908 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -65.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 73.41 110.832 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.75 -26.4 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 65.3 110.928 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -60.13 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.856 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.0 m -70.28 -38.66 75.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.12 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -27.1 36.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.935 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.48 -27.79 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.892 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.57 -21.68 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 64.25 110.839 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.99 -28.15 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.157 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.26 -20.87 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.936 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.9 m -56.01 -25.76 45.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 55.03 110.796 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -33.75 67.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 73.25 110.837 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.3 mp -83.43 -24.01 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 73.24 111.153 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -52.17 -39.84 60.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.93 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 21.2 mt -66.7 -58.06 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.076 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -22.52 49.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 73.52 111.14 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -18.71 47.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.864 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -84.84 -33.43 22.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.873 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.09 -21.37 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.34 111.131 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.94 -28.04 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 73.1 111.091 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.764 0.316 . . . . 73.41 110.805 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.52 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.147 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 mmt -80.24 -44.6 19.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 61.13 110.869 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.6 m -90.2 -19.01 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.54 111.163 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.43 -28.49 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 64.42 111.137 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -84.9 -20.34 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.12 -48.81 19.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.806 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.2 mm -56.14 -24.95 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.34 111.132 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -54.07 -45.22 71.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.925 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -63.01 -19.07 64.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.866 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.79 -34.14 30.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 70.44 110.904 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.1 -31.43 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.02 111.1 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -18.89 47.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.4 110.912 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.68 -45.69 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 75.12 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -36.52 69.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.902 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mt -51.96 -40.04 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.11 111.15 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.09 -20.99 40.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.858 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -65.69 -59.02 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.932 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 pt -81.57 -20.03 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.25 111.132 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.68 75.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.479 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 p -92.0 -21.01 20.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.728 0.299 . . . . 75.25 111.097 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.99 -29.75 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 71.03 110.889 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.0 p -82.04 -17.96 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.52 110.835 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.26 -20.47 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.45 111.15 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -87.27 -56.42 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 73.35 110.815 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.85 -26.33 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.14 111.145 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.98 -39.19 93.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 75.1 112.492 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.86 -24.4 22.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 75.11 110.854 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mp -77.07 -35.26 56.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.943 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.8 -50.44 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.11 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.82 -57.67 11.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 62.24 110.86 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mp -51.34 -36.13 41.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 72.44 110.95 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t -65.13 -41.22 95.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 72.51 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -74.48 -40.68 61.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.901 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.86 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.878 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.7 -24.74 29.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 74.52 112.508 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.25 -174.64 35.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 53.03 112.479 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.81 -53.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 32.32 112.49 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.1 -117.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.676 -0.773 . . . . 53.42 112.503 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.14 147.31 13.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 71.0 112.497 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.03 -165.43 27.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.684 -0.77 . . . . 74.14 112.524 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 73.52 112.383 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -73.76 -35.88 65.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -38.14 89.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.969 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -65.61 -49.51 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 74.35 110.864 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.48 -34.14 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 75.1 111.139 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.6 -36.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.41 111.106 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.408 HD21 ' N ' ' A' ' 55' ' ' ASN . 1.5 m-80 -82.99 -23.94 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.911 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.2 t -87.54 -44.23 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.42 111.11 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.1 mm -74.06 -24.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 73.35 111.119 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.474 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.7 mt-10 -52.14 -60.38 6.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 75.13 110.915 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.6 Cg_endo -69.74 -20.89 34.35 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 74.21 112.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.9 m -66.16 -34.44 78.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.904 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -62.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 75.3 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -56.26 -24.87 45.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.881 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -24.39 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.5 110.885 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.3 m -55.55 -34.26 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.842 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.81 -20.89 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.924 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.6 mt -73.71 -48.55 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 73.01 110.938 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 t -64.4 -14.88 59.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.154 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.44 -13.14 36.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 73.5 112.486 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -12.46 35.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 74.41 110.944 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.21 -44.34 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 64.34 111.127 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -83.05 1.14 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.887 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -120.18 -67.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.931 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -120.2 76.41 23.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 73.34 110.933 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 129.0 16.92 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.733 2.289 . . . . 74.05 112.337 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.5 p -102.94 -13.21 17.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -176.42 179.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 54.2 110.897 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.8 m -60.14 -20.58 59.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.846 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.56 41.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 72.45 112.489 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.05 -51.54 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 73.22 110.84 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.21 -30.91 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 70.34 110.947 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.8 mtt -63.5 -40.11 96.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 74.34 110.893 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -56.55 -23.81 42.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 71.5 111.116 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.13 -24.15 40.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.875 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 t -81.84 -27.9 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 72.32 110.861 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -63.53 -28.97 70.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 73.12 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.03 -17.97 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 33.14 110.853 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -73.8 -29.03 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.33 111.115 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.2 mt -86.08 -35.27 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 64.54 110.936 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -76.7 -36.31 57.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.931 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.2 p -80.56 -19.87 44.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.835 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 tp -73.88 -48.3 31.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.928 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -53.8 -27.09 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 62.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -26.84 38.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.895 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -27.25 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.873 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -83.18 -49.23 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 74.04 110.944 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -57.72 -26.45 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.11 110.92 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -12.88 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.897 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.8 tp -52.05 -24.34 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.12 111.16 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -57.77 -19.55 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.14 111.15 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -85.19 -19.98 30.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 55.14 110.863 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.64 -55.35 2.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 74.12 110.967 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.95 81.26 28.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 74.51 111.141 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -3.4 11.9 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.717 2.278 . . . . 74.43 112.389 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -35.42 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.859 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 81.5 p -90.68 -15.47 30.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.22 111.158 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.7 t -52.98 -23.79 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 63.44 110.876 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -59.11 -18.44 35.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 71.11 110.84 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.92 -14.22 56.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 52.31 111.113 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.531 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.51 -57.5 8.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.667 0.746 . . . . 74.45 111.124 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.8 -14.0 35.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 65.41 112.317 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.44 -61.29 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.896 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.9 tt -77.29 -22.03 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.35 111.088 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.71 -27.56 13.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 64.35 112.48 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -61.52 -35.0 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 75.22 110.913 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -85.46 -30.57 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -65.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 75.53 110.888 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -26.88 63.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.93 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -61.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.886 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.6 m -63.04 -37.9 89.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.1 111.152 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -55.36 -34.45 64.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.873 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.01 -17.0 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 70.11 110.867 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -85.45 -23.87 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.901 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.73 -23.01 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 74.4 111.104 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.42 -19.94 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.93 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.4 m -56.13 -26.83 51.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.5 110.81 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.8 t -52.99 -41.53 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.839 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.31 -23.98 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 75.51 111.13 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -31.25 63.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 73.03 110.901 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.3 mp -75.93 -54.39 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.32 111.147 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -22.57 49.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 73.23 111.119 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.87 -18.73 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.897 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.79 -33.48 22.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 64.41 110.867 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -21.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 60.13 111.126 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.9 -28.03 13.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 75.22 111.129 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.907 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.765 0.317 . . . . 72.55 110.843 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.23 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.11 111.09 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.8 mmt -80.15 -44.52 19.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 75.21 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.25 -18.98 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 71.41 111.139 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -28.51 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.21 111.114 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.54 -25.37 38.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 75.24 110.873 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -48.77 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.85 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.08 -24.97 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.43 111.163 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tp -51.98 -45.19 64.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 74.15 110.881 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -28.43 69.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.13 110.881 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -36.36 77.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 75.14 110.864 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -87.99 -28.17 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.51 111.147 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -18.91 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 75.14 110.873 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -79.54 -42.11 25.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.1 110.852 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -46.55 81.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.886 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mt -51.53 -40.91 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.11 111.178 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.4 m -81.03 -21.02 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -69.0 -59.09 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.05 110.862 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tt -85.99 -19.92 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.41 111.157 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.62 -55.97 17.5 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.728 -0.749 . . . . 60.15 112.524 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.0 p -61.72 -20.91 64.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.747 0.308 . . . . 72.34 111.159 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -72.29 -38.58 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.885 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 m -82.01 -22.82 36.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.35 110.856 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.07 -20.61 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 75.23 111.14 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -86.11 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.43 -23.09 47.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 72.22 111.107 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.35 -39.92 41.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 71.32 112.459 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -26.7 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 73.25 110.879 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -71.87 -37.95 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.906 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.91 -37.61 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.126 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -46.21 87.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.896 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -51.65 -29.59 18.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 70.2 110.893 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m -80.02 -56.52 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 75.52 110.892 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -51.29 -55.5 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 72.54 110.924 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.87 50.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 70.54 110.86 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.64 12.27 25.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 70.13 112.476 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.35 41.5 2.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 74.03 112.479 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.0 175.7 42.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 73.45 112.432 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.13 -151.17 7.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 65.42 112.512 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.18 154.56 5.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 75.24 112.501 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.39 -179.55 39.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 70.3 112.509 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.719 2.28 . . . . 73.41 112.344 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.22 -33.69 37.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 73.53 110.901 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.88 -36.31 82.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.878 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -64.37 -50.64 66.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 75.32 110.866 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.7 t -70.4 -32.2 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.12 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -73.56 -34.98 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 71.51 111.111 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.09 -24.23 26.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 62.45 110.889 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 t -86.29 -45.02 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.31 111.156 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mm -74.53 -23.36 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.12 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.463 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.6 -60.88 5.01 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.658 0.742 . . . . 74.34 110.908 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.75 -24.07 30.11 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 54.24 112.342 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -33.43 75.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 53.51 110.912 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -51.7 -55.9 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.876 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -25.5 51.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.874 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.09 -24.63 27.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 71.35 110.899 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -35.67 56.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.899 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.6 -26.08 41.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 73.02 110.887 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.91 -37.99 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 75.33 110.923 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.8 m -62.48 -21.01 65.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 74.34 111.126 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.6 -13.66 40.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 71.15 112.475 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 tp -91.01 -8.11 50.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.341 . . . . 74.3 110.935 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.09 -31.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.122 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -98.29 1.11 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.88 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -118.55 -59.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 73.4 110.925 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.74 75.11 18.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 74.33 110.911 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 129.52 17.72 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 63.32 112.36 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.6 m -58.31 -21.89 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.04 111.133 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.42 -172.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.867 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.7 p -62.54 -17.13 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.89 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.94 30.44 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 55.53 112.453 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.09 -44.24 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 71.51 110.889 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.07 -33.57 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.902 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.8 mtt -69.42 -53.92 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 64.03 110.876 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 t -53.85 -27.54 30.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 65.32 111.158 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -82.97 -28.96 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 74.31 110.886 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.96 -21.0 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 62.45 110.885 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.73 -42.65 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 72.45 110.906 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 m -61.93 -18.27 59.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 54.1 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -87.01 -22.98 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.03 111.129 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.11 -33.95 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.919 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -27.6 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.3 110.918 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.7 m -87.22 -19.77 27.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.84 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.36 -42.35 62.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.901 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -58.41 -22.03 52.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 71.35 111.145 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -51.01 -41.2 59.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.89 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -55.56 -33.72 64.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.874 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -83.39 -48.8 9.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.916 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -57.46 -24.87 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.913 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -13.04 61.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 75.02 110.889 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.9 tp -51.97 -24.23 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 73.44 111.148 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.7 p -57.66 -19.83 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 72.23 111.162 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -84.83 -19.49 32.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.887 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.6 -55.16 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.919 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.7 mp -137.85 79.99 31.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 72.34 111.097 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -3.4 11.97 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.66 2.24 . . . . 62.31 112.348 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -36.07 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 75.35 110.884 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.26 -15.74 28.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.12 111.148 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 m -61.48 -16.62 48.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.878 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.07 -18.72 37.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.04 110.854 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.34 -13.8 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 54.45 111.132 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.538 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.31 -57.41 8.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 74.12 111.131 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.0 Cg_endo -69.76 -14.23 35.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 74.01 112.373 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -61.42 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.902 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.23 -21.82 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 75.31 111.138 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.67 -27.13 11.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 53.04 112.475 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.35 -33.67 72.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.21 110.906 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -85.43 -32.26 22.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.956 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -65.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 65.52 110.864 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.36 -29.98 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.5 110.9 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -58.37 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 65.32 110.952 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.6 m -70.25 -37.05 74.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 71.52 111.174 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -26.55 48.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.875 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.94 -22.27 27.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.91 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -85.99 -36.75 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 71.14 110.859 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.55 -23.05 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.163 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -19.98 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.862 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -25.34 48.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 70.12 110.803 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.2 t -52.06 -36.68 51.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.871 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.93 -25.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 63.4 111.183 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -66.44 -54.42 24.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 74.5 110.899 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 31.2 mt -55.42 -43.16 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.3 111.133 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -22.51 65.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 70.13 111.193 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.19 -18.39 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.871 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -19.72 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.864 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.75 -26.72 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 70.24 111.143 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -30.9 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.088 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.899 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.1 m80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.775 0.321 . . . . 73.31 110.861 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.4 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.4 mmt -80.09 -44.58 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 62.55 110.906 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.17 -19.02 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 73.51 111.174 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -28.56 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 64.52 111.139 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -83.92 -17.96 38.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.871 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -83.16 -42.96 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -56.19 -24.91 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 72.43 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -54.42 -43.95 71.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.1 110.907 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -63.58 -18.87 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.43 110.927 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.8 -39.77 50.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.891 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.12 -27.77 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.42 111.154 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.84 -18.95 45.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 73.02 110.881 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -70.11 -47.76 60.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.878 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -38.09 88.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.879 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -51.7 -37.71 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 72.52 111.129 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.0 m -80.99 -24.98 37.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.933 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -59.0 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.909 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 tt -85.78 -20.0 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.34 111.132 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.82 -43.62 58.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 60.23 112.447 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.5 p -73.98 -37.3 64.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 64.4 111.139 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.87 -27.33 66.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 m -78.3 -29.66 47.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.887 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.06 -20.51 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 74.1 111.141 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.31 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.84 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.59 -22.9 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 71.35 111.111 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.52 -39.06 31.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 63.11 112.475 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -22.83 23.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 74.41 110.896 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.71 -38.5 47.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.894 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -75.25 -41.04 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.52 111.126 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.25 -59.28 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 65.41 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -49.44 -31.02 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.898 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -61.89 -50.56 71.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.858 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -79.09 -58.04 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.958 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.48 53.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.856 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.76 -23.62 37.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 64.55 112.474 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.19 13.34 66.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 74.3 112.468 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.52 128.8 41.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 71.23 112.46 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.26 -114.04 3.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 70.32 112.467 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.72 175.19 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 70.14 112.469 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.44 -179.21 39.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 72.52 112.482 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.78 29.43 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 74.54 112.354 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -24.99 38.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.935 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -68.12 -39.37 82.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.921 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -59.9 -38.83 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.844 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.93 -26.45 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.138 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -75.79 -31.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 74.3 111.115 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -24.68 22.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 t -85.96 -45.1 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.14 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mm -75.01 -22.56 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.5 111.089 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.472 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.2 mm-40 -51.82 -60.63 5.63 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 75.24 110.883 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.73 -25.81 28.37 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.25 . . . . 75.34 112.325 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.39 77.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.04 -60.3 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.907 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -25.46 42.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 63.45 110.873 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -24.88 33.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.864 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.2 m -55.16 -37.89 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 71.22 110.853 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.73 -22.07 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.927 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.0 mt -70.19 -47.85 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 75.2 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 t -65.28 -14.36 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.145 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.47 -13.7 32.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 75.22 112.527 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.01 -20.03 22.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 75.51 110.917 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.22 -31.9 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.148 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -93.71 1.03 56.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.859 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -104.7 -61.22 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 61.54 110.876 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.3 mt -154.81 71.43 5.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.708 . . . . 73.53 110.918 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.08 16.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 74.24 112.322 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.73 43.36 2.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 73.5 111.134 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.77 166.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 64.21 110.91 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -65.75 -14.49 61.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.08 43.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 71.05 112.491 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.29 -60.2 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 73.11 110.869 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -81.07 -19.95 42.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 74.52 110.943 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.0 mtt -69.01 -55.43 10.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.899 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.4 t -51.65 -31.69 26.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 73.1 111.118 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.8 -29.39 25.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -28.51 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.879 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -41.79 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.918 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -62.16 -17.94 59.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 75.02 110.881 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.0 t -69.12 -31.83 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 71.01 111.117 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.0 mt -86.03 -34.65 20.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.54 110.916 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -75.94 -36.71 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 73.33 110.869 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.4 t -80.69 -20.03 43.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 64.44 110.867 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -75.32 -48.69 21.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 65.32 110.899 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 t -53.44 -27.73 26.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 65.34 111.177 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.19 -32.27 62.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.93 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.62 -22.87 32.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 73.32 110.904 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.9 tp -82.62 -38.09 24.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.925 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -68.36 -32.91 73.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 74.55 110.918 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -11.98 61.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.856 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -23.54 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 72.42 111.1 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.58 -19.69 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.109 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.13 -19.93 31.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.913 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.6 -55.39 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 74.54 110.933 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.99 80.98 28.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 73.54 111.162 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -3.38 11.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 74.43 112.377 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.8 p -69.61 -35.49 75.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.831 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.7 -15.52 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 72.51 111.155 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.9 t -52.89 -24.02 8.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.887 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.17 -18.42 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.87 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.96 -14.23 56.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 71.1 111.127 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.54 -57.49 8.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 72.33 111.113 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.9 Cg_endo -69.81 -14.01 35.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.264 . . . . 74.02 112.291 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.41 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.932 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.7 tt -77.36 -22.02 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.02 111.1 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.82 -27.46 13.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 64.24 112.51 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -61.46 -34.44 75.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 72.02 110.858 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -85.43 -31.3 22.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 73.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 73.44 110.855 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.89 -24.97 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 63.4 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -52.43 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.902 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.5 m -69.35 -39.16 78.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 73.23 111.106 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -38.67 60.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.852 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.05 -16.98 36.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.49 -43.11 21.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 73.33 110.885 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.8 p -57.68 -22.98 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 64.33 111.171 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.53 -19.95 58.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -20.75 59.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 73.31 110.859 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -56.52 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 73.22 110.878 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 26.2 pt -63.26 -24.0 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.41 111.13 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -48.51 48.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.944 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.2 mt -67.78 -48.21 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 65.12 111.17 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 47.3 p -65.04 -22.51 66.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 75.04 111.145 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -18.36 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -84.75 -19.87 31.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 63.51 110.887 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.69 -25.6 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 73.32 111.096 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.84 -22.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.14 111.133 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.852 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 74.23 110.83 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.05 -47.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.12 111.097 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -44.55 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 73.35 110.861 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.35 -18.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 71.32 111.133 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.41 -28.54 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.1 111.129 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.3 -20.5 29.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.882 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -84.02 -48.45 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 73.23 110.863 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.13 -24.95 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 73.24 111.142 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.66 -36.91 67.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 74.45 110.925 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -18.96 65.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.902 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -39.69 49.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 54.42 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.02 -27.84 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.117 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -80.87 -18.94 45.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.941 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.33 -45.73 65.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 74.3 110.864 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.1 mt -51.84 -40.33 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 63.43 111.145 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.4 m -81.03 -20.96 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.898 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -67.56 -59.06 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.6 pt -86.02 -19.96 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 75.55 111.125 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.34 -18.16 73.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 72.02 112.483 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 p -91.99 -37.55 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 71.45 111.171 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -68.68 -18.03 64.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.859 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.13 -20.99 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.844 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.32 -20.95 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.68 -53.71 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.898 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.47 -24.77 21.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.54 111.083 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.46 -40.37 79.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 71.23 112.504 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -21.52 23.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 74.11 110.943 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -78.96 -36.11 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.934 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.57 -51.0 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.151 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -53.86 -58.53 6.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.872 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.42 -34.02 33.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 72.35 110.918 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -62.58 -42.83 99.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.01 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.76 -43.22 31.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.7 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.873 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.55 21.96 44.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 70.01 112.494 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.93 -172.82 21.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 74.14 112.484 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.18 -179.09 19.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.816 -0.707 . . . . 62.55 112.509 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.68 -101.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 71.31 112.503 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.17 152.7 6.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 44.23 112.508 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.95 -165.15 27.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 74.35 112.469 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -9.9 27.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.699 2.266 . . . . 74.21 112.362 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -73.86 -34.06 64.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.934 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -37.87 85.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.94 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -33.17 75.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 65.33 110.881 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -86.24 -29.02 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 74.1 111.117 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.2 t -80.88 -27.64 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 55' ' ' ASN . 1.5 m-80 -89.19 -24.11 22.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.898 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 p -90.05 -27.86 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.14 111.122 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.9 mm -90.79 -26.28 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.121 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mm-40 -52.36 -59.98 7.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 71.12 110.856 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.8 Cg_endo -69.78 -21.66 33.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.249 . . . . 61.12 112.359 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -33.28 75.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.884 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -54.54 -61.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.917 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -25.15 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.879 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.46 -24.47 36.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.876 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -34.71 65.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 70.12 110.85 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.36 -21.0 62.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.43 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.6 mt -74.96 -47.57 28.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 72.14 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 t -65.19 -14.29 60.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.21 111.137 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.94 -13.65 33.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 65.14 112.42 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -21.37 21.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 74.22 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -86.68 -31.84 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.13 111.123 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -92.24 0.97 57.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.863 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -104.98 -64.16 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.928 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -151.8 71.62 8.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.664 0.745 . . . . 74.34 110.874 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.29 17.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 75.33 112.352 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.4 43.46 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 64.25 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.87 164.8 0.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 71.15 110.88 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -14.72 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 65.42 110.863 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.43 44.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 72.3 112.479 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.19 -59.52 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.966 0.412 . . . . 74.5 110.897 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -81.02 -19.98 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.53 110.901 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 mtt -71.15 -50.98 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.846 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 t -55.35 -28.19 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.24 111.145 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -88.01 -19.98 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 62.22 110.908 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.11 -21.01 31.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.853 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -82.64 -50.22 8.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.936 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.7 t -62.11 -17.97 59.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.907 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.93 -31.79 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 74.42 111.155 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.7 mt -81.99 -34.89 29.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 61.51 110.929 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -35.67 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.888 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -80.72 -19.96 43.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.98 -47.93 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.922 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 t -53.95 -26.88 27.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 72.32 111.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.52 -27.15 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 72.1 110.877 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -28.8 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.933 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 39.0 tp -83.25 -48.58 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.931 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -57.63 -26.54 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.931 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -12.94 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.894 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.8 tp -52.0 -24.38 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.2 111.165 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.87 -19.46 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 71.03 111.156 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -85.32 -20.03 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.857 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.65 -55.47 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.928 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -138.05 81.47 26.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 74.34 111.089 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -3.44 12.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 63.3 112.375 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -35.38 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 69.8 p -90.6 -15.39 30.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.45 111.201 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.9 t -52.81 -23.96 7.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.461 . . . . 71.02 110.885 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.07 -18.42 34.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 73.55 110.853 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.87 -14.27 56.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.5 111.079 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.57 -57.49 8.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 74.51 111.154 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.4 Cg_endo -69.68 -14.12 35.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.715 2.277 . . . . 72.55 112.358 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.35 -61.3 1.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.918 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.4 tt -77.21 -22.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 75.44 111.103 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.18 -26.86 13.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 35.23 112.479 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.28 -31.83 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 75.44 110.864 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -85.37 -34.25 21.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.946 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 74.43 110.875 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -28.14 65.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 71.54 110.931 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -60.26 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.03 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.3 m -66.54 -39.95 88.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.145 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -56.12 -25.76 47.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 71.24 110.92 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.88 -22.49 27.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.816 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.15 -27.23 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.898 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.15 -24.92 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.109 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.13 -20.0 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.9 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -43.78 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 74.15 110.872 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -41.08 85.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 61.43 110.836 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.3 pt -77.26 -24.38 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.134 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -74.5 -44.25 52.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.881 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 38.0 mt -58.37 -45.0 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.44 111.141 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -22.53 45.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.175 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.08 -18.55 47.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.869 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.09 -20.47 38.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.54 110.87 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.03 -20.0 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.4 111.191 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.03 -23.82 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.35 111.165 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.89 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 m170 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.82 0.343 . . . . 73.31 110.824 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.34 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 51.11 111.11 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 16.3 mmt -80.43 -44.58 19.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -90.25 -18.96 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 71.34 111.163 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -83.45 -28.5 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.22 111.172 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -83.93 -20.51 32.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.889 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.44 -41.9 31.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.858 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 mm -56.1 -25.0 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.13 111.132 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.71 -42.54 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.914 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -61.51 -18.81 60.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.895 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 t -77.17 -39.04 50.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.857 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.09 -28.18 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 73.3 111.191 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.89 -18.95 45.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 73.51 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.11 -49.68 48.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -38.74 72.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 75.24 110.913 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.3 mt -51.73 -41.7 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.23 111.166 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.0 -21.01 40.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 54.11 110.892 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -59.02 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.862 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 tt -86.04 -19.99 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.1 111.12 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.41 -24.63 76.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 64.03 112.441 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -91.99 -31.54 15.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.286 . . . . 72.15 111.129 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -70.23 -17.96 63.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.901 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.77 -24.13 44.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 72.43 110.83 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -71.19 -20.92 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.44 111.111 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -87.69 -55.5 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 64.5 110.919 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.26 -26.29 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 73.43 111.074 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.42 -40.4 91.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 60.33 112.492 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.43 -21.86 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 75.4 110.851 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.69 -35.39 45.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.32 -50.41 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 71.45 111.176 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -55.83 -56.42 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 70.21 110.856 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mp -51.33 -36.65 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 63.13 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.56 -41.49 88.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.854 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.18 -40.51 67.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.936 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -179.53 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.861 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.15 16.66 49.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 35.03 112.527 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -101.49 -174.48 28.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.738 . . . . 63.43 112.454 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.08 163.05 10.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 75.51 112.494 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.83 -61.25 7.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 72.44 112.527 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.34 -171.88 48.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 61.41 112.477 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.27 -178.35 19.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 71.44 112.47 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -10.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 73.21 112.327 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.16 -27.16 39.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.92 -36.99 85.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.31 -52.03 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.886 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.23 -32.15 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 75.11 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -72.98 -36.49 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.14 111.095 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.04 -24.53 28.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.11 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.48 -45.14 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.118 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.4 mm -75.12 -22.7 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.104 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.478 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.3 mt-10 -51.41 -60.51 5.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 71.5 110.907 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.2 Cg_endo -69.79 -26.41 27.46 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.68 2.253 . . . . 74.11 112.354 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -32.71 74.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.878 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -53.04 -57.12 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.859 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -25.49 41.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.904 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.46 -24.88 31.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 64.43 110.882 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -39.27 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.868 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.87 -24.76 58.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 71.2 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.85 -34.31 76.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 m -62.65 -19.26 63.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.35 111.129 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.53 -13.84 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 70.21 112.477 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 tp -91.05 -9.12 46.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.846 0.355 . . . . 71.31 110.895 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.06 -31.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 73.3 111.086 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -98.07 1.17 47.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.918 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -123.09 -58.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.909 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.76 73.53 2.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.716 . . . . 72.04 110.929 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.17 17.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.7 2.267 . . . . 74.14 112.349 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 m -104.19 -15.81 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.119 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.96 -170.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 50.41 110.883 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.7 p -63.28 -16.52 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 70.32 110.839 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.85 37.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 70.13 112.469 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.89 -52.37 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 73.33 110.906 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -81.01 -20.02 42.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 75.1 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 17.1 mtt -78.62 -51.88 9.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.896 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 t -51.93 -29.6 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 65.51 111.089 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -85.83 -30.17 23.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 64.43 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -26.0 50.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.895 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.77 -37.68 29.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 71.44 110.883 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -17.98 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.897 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.9 -27.99 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.5 mt -86.03 -35.5 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.912 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -77.5 -35.68 53.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.9 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 56.7 m -80.74 -19.94 43.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.877 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 tp -73.09 -47.47 44.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 64.04 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 t -53.73 -27.4 28.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.179 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -31.01 61.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.878 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -23.06 32.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.882 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.5 tp -83.11 -39.97 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.947 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -66.51 -30.45 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.897 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -12.2 61.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.907 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 tp -51.73 -23.58 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 74.51 111.168 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.43 -19.88 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 63.55 111.115 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.75 -19.83 32.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.888 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.65 -55.33 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.929 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.94 80.94 28.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.626 0.726 . . . . 75.14 111.179 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -3.37 11.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.735 2.29 . . . . 70.12 112.331 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -35.43 75.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 65.51 110.885 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.5 p -90.77 -15.52 30.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.167 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.3 t -55.09 -22.17 15.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.14 110.848 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.14 -18.32 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 73.4 110.862 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.9 -14.26 56.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.094 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.522 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.61 -57.5 8.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.655 0.74 . . . . 75.34 111.13 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.81 -13.97 35.26 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.663 2.242 . . . . 74.43 112.332 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.41 -61.28 1.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 75.03 110.897 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.4 tt -77.18 -22.15 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 71.55 111.103 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.79 -27.47 13.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 70.03 112.501 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -61.62 -34.81 76.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.805 0.336 . . . . 74.23 110.942 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.37 -33.11 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.965 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -65.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 75.52 110.912 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.47 -25.01 61.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.874 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -59.57 5.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.863 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.0 p -64.87 -37.07 86.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.143 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.97 -39.92 63.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.5 110.863 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.33 -17.25 46.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.911 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.07 -50.64 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.03 110.888 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.81 -25.3 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 72.42 111.095 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -20.64 63.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.94 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -28.11 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 53.33 110.892 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.6 m -52.1 -36.34 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 72.12 110.83 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.94 -37.73 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 72.11 111.155 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -40.57 64.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.911 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.52 -55.89 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 65.13 111.196 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -22.5 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.167 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.06 -18.61 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.15 110.862 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -20.18 35.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.891 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -19.69 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 74.11 111.124 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -63.78 -22.94 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.112 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 61.21 110.875 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.9 m80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 73.21 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.52 -46.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 72.03 111.088 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -32.27 47.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.857 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.71 -19.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 75.43 111.089 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -28.61 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.106 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -63.76 -30.82 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.894 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -29.14 42.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 70.15 110.927 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 mm -56.11 -24.96 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.39 -33.57 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.955 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -18.95 61.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 71.43 110.904 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.4 t -77.97 -38.13 45.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.896 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -28.31 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.132 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -18.97 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.892 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -72.65 -47.81 44.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.844 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -37.27 70.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.882 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.0 mt -51.75 -40.52 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.136 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.09 -20.95 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.85 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -69.87 -59.06 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.868 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tp -70.52 -20.02 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.22 111.094 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.02 -15.99 79.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 73.11 112.559 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.2 m -90.71 -21.02 21.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 74.2 111.108 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -84.09 -31.82 25.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 72.44 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -17.98 65.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 54.01 110.88 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.18 -20.48 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.121 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -86.8 -55.44 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 73.42 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.17 -22.45 28.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.02 111.082 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.74 -40.47 31.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.469 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -88.67 -20.14 25.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 75.44 110.899 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -80.36 -38.16 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.67 -48.83 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.03 111.134 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.04 -59.17 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.882 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.61 -33.86 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t -59.49 -42.01 91.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.1 110.881 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -82.62 -44.34 15.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.868 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.85 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.875 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.23 11.78 59.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 74.22 112.473 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.49 -157.51 8.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.745 . . . . 73.02 112.459 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.34 110.14 2.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 65.44 112.524 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.21 -132.71 37.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.74 . . . . 72.3 112.452 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.21 158.94 3.03 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.696 -0.764 . . . . 62.23 112.47 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.92 -165.26 30.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 70.23 112.516 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -9.79 26.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.221 . . . . 73.31 112.358 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.04 -30.75 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.91 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -34.27 66.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.96 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -39.6 93.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 64.15 110.887 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -26.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t -77.1 -31.43 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 75.1 111.095 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.24 -24.66 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 75.01 110.855 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -86.09 -45.34 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 63.24 111.135 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.5 mm -74.59 -22.65 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 73.01 111.105 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.9 mt-10 -52.01 -60.73 5.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.697 0.76 . . . . 72.25 110.87 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.1 Cg_endo -69.8 -24.87 29.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 73.33 112.337 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -31.18 71.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 62.23 110.945 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -60.89 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 65.41 110.89 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -55.9 -25.45 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 73.15 110.91 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.54 -24.68 33.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -37.24 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.835 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.03 -21.61 40.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.889 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.01 -36.01 74.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.894 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.4 m -62.63 -18.79 62.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.134 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.01 -13.85 35.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 62.42 112.446 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 tp -91.06 -8.79 47.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 74.53 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.07 -31.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 55.52 111.109 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -97.8 1.17 48.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 65.01 110.866 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -118.82 -60.35 1.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.906 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 mt -142.24 75.13 20.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 74.01 110.901 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.36 17.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 72.11 112.352 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.9 m -57.67 -22.6 46.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 74.41 111.15 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -176.16 -172.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.21 110.873 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.0 p -62.44 -17.22 58.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 70.42 110.861 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.77 29.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 73.21 112.46 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.61 -44.35 13.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 75.01 110.9 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.05 -33.43 33.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.912 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 17.4 mtt -69.46 -52.09 29.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.916 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 t -53.37 -28.88 31.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.145 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -79.32 -30.48 42.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -21.0 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.822 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -41.07 20.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.911 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -62.1 -17.98 59.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.884 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.39 -26.35 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 74.13 111.112 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.99 -34.55 20.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 75.35 110.926 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -77.43 -35.9 53.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.894 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.7 m -80.18 -19.92 45.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 63.42 110.873 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tp -73.18 -48.3 36.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 74.34 110.913 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -53.42 -27.47 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.45 111.168 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -30.42 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.25 110.858 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -23.18 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.904 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.0 tp -83.11 -51.89 7.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.958 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -57.74 -26.71 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.931 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -12.93 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.85 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.6 tp -51.94 -24.31 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.11 111.126 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.73 -19.71 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 73.41 111.137 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -84.88 -19.75 31.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.899 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.85 -55.43 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 74.21 110.933 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -138.03 81.36 27.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 73.15 111.138 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -3.55 12.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 74.41 112.308 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -35.54 75.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.882 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.71 -15.48 30.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 75.32 111.12 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -24.04 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 71.04 110.835 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -59.14 -18.42 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 74.52 110.816 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.05 -14.16 56.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.33 111.115 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.535 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.51 -57.46 8.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 71.31 111.125 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.3 Cg_endo -69.73 -14.16 35.78 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.7 2.267 . . . . 73.21 112.363 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -61.36 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.914 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 9.7 tt -76.95 -21.99 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.23 111.126 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.99 -26.9 12.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.658 -0.782 . . . . 75.34 112.491 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.54 -32.88 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.342 . . . . 74.05 110.89 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -85.42 -32.54 22.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.852 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mtp -51.78 -65.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 75.41 110.88 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.12 -24.89 67.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.3 110.932 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.96 -62.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.22 110.858 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 16.9 p -67.32 -38.07 84.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 75.21 111.173 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -54.55 -27.86 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 74.43 110.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.09 -26.45 28.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 72.35 110.88 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -84.53 -26.34 28.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 73.35 110.855 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.09 -25.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 74.3 111.095 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -60.99 -24.68 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.3 t -53.43 -34.91 59.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 65.11 110.858 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.01 -51.16 59.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.88 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.98 -24.03 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 74.31 111.155 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -33.07 69.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 70.44 110.956 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.16 -57.41 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.12 111.139 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.3 p -58.0 -22.53 50.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.24 111.151 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.05 -18.47 46.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 65.13 110.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.59 -25.59 28.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -25.18 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 73.04 111.118 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.4 pp -68.49 -22.56 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 75.23 111.123 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 71.01 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.791 0.329 . . . . 75.11 110.865 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.98 176.84 11.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 62.02 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -125.98 -63.31 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 72.13 110.847 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 t60 56.57 91.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 74.15 110.83 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -73.32 98.57 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.3 110.846 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.03 -170.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.84 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -53.3 162.43 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 106.36 15.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.45 110.858 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.93 -47.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.44 111.103 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.1 -44.47 19.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.2 110.923 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.3 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.2 111.105 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.4 -28.54 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 70.21 111.148 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.79 -19.02 59.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 65.13 110.864 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -79.59 -36.83 37.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.865 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -56.05 -25.03 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 73.35 111.13 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -52.26 -52.23 53.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 72.01 110.913 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -61.4 -18.95 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.939 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -38.86 50.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.885 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -87.99 -28.1 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 73.01 111.124 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -18.89 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 74.54 110.822 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -72.3 -57.91 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.905 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -39.43 71.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.87 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.98 -33.72 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 71.3 111.118 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.2 m -81.07 -29.02 35.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.838 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.51 -59.08 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.23 110.896 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 tt -86.08 -19.94 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.21 111.107 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.72 -43.53 18.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 73.22 112.45 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.3 m -73.62 -29.93 62.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 71.05 111.127 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.35 -30.98 70.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -18.67 63.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.859 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.67 -20.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 73.52 111.122 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.19 -59.18 2.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.21 110.863 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.82 -22.08 33.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 74.2 111.092 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.76 -38.94 26.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 61.31 112.447 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -23.56 23.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 75.43 110.827 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.02 -38.91 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 71.44 110.939 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.47 -41.4 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.04 111.114 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.11 -59.26 5.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.9 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.09 -33.15 24.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.933 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t -59.8 -41.25 90.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 74.33 110.896 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -84.17 -44.05 14.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 75.21 110.905 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.85 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.02 19.51 56.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 72.44 112.473 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.11 -105.43 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 75.14 112.538 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.84 -144.3 17.13 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 73.1 112.519 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.21 -27.8 24.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 72.24 112.502 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.9 -140.29 3.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 72.22 112.46 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.54 -165.11 24.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 64.41 112.441 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -9.7 26.72 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 75.42 112.329 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.27 -22.21 59.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 72.01 110.952 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -22.91 61.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 74.42 110.973 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -80.48 -35.5 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.01 110.835 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -88.21 -27.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.53 111.16 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 t -75.66 -34.07 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 73.31 111.148 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.07 -24.55 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 71.31 110.917 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.7 t -86.26 -42.15 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 74.4 111.082 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.9 mm -78.44 -23.66 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.101 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.5 tt0 -51.06 -58.53 10.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.671 0.748 . . . . 74.33 110.909 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.75 -29.93 23.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.267 . . . . 74.23 112.335 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.3 m -64.19 -37.24 86.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -58.78 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 72.22 110.917 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -25.69 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.33 110.94 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -83.28 -24.85 32.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.898 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -37.62 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 73.43 110.82 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -80.5 -22.22 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 72.4 110.922 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.4 mt -71.7 -42.02 67.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 70.41 110.951 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.4 m -62.45 -17.98 60.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.154 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.85 -12.74 42.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 63.13 112.457 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.9 tp -91.03 -8.41 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 73.25 110.864 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.1 -31.56 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 75.34 111.081 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.12 1.14 44.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.814 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -123.21 -57.72 1.67 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 70.31 110.917 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.0 tp -114.22 72.41 2.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 75.34 110.941 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 128.93 16.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 73.25 112.374 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.4 m -100.49 -15.79 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 75.14 111.159 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.12 -170.52 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 65.43 110.882 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -16.59 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.903 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.96 38.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.5 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.05 -68.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 64.42 110.902 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -56.21 -25.15 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.913 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.5 mtt -78.57 -61.03 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 74.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -57.5 -25.83 60.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 71.11 111.132 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.18 -31.57 38.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.31 110.9 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.3 m -85.06 -26.39 27.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.2 110.856 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -35.05 79.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 75.5 110.907 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -17.93 59.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.877 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -80.42 -28.45 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 72.55 111.137 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.66 -36.78 79.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.921 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -79.9 -33.76 39.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 74.11 110.891 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -81.12 -19.91 42.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 61.53 110.831 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.12 -46.17 65.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.914 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.0 t -53.51 -27.17 24.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 74.41 111.177 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -27.0 37.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.903 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -27.98 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 74.22 110.898 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.8 tp -83.18 -39.52 20.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.903 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -66.45 -30.43 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 72.52 110.876 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -12.21 61.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.921 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -51.78 -23.75 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.102 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.53 -19.82 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 74.53 111.151 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.69 -19.96 31.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 71.51 110.842 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.59 -55.52 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.871 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -138.03 81.29 27.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.668 0.747 . . . . 73.24 111.156 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -3.97 13.05 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 74.45 112.398 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -35.7 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.876 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.3 p -90.91 -15.41 29.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.23 111.142 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 t -52.72 -24.36 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 73.33 110.829 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.15 -18.51 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 73.24 110.866 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.25 -14.02 56.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.069 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.526 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.32 -57.44 8.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 73.34 111.115 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.79 -14.39 35.92 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.27 . . . . 73.52 112.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -84.34 -61.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 75.13 110.942 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 11.3 tt -76.6 -21.99 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 75.11 111.182 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.21 -27.02 14.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 72.23 112.471 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -60.96 -31.7 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.336 . . . . 75.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -85.2 -31.49 23.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 73.22 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 74.41 110.853 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -29.13 65.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 70.41 110.901 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -62.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.864 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.6 m -65.17 -36.46 84.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 72.41 111.111 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -33.81 61.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 75.45 110.897 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.94 -17.31 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 64.34 110.915 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -86.0 -36.1 19.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 70.32 110.886 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.0 p -57.73 -22.95 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 70.12 111.125 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -59.28 -21.63 59.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -30.0 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.04 110.855 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.8 p -52.12 -50.4 61.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 72.13 110.888 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.16 -24.01 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 75.13 111.157 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -51.02 63.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 75.51 110.902 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 28.6 mt -60.36 -49.64 83.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.3 111.115 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.47 -22.49 54.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 75.05 111.171 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -18.73 47.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.932 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -84.75 -33.4 23.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 74.4 110.92 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.1 -21.46 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 75.35 111.146 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.8 -28.16 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.71 -36.1 24.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 73.31 110.877 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -42.52 8.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 74.34 111.135 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -55.52 -53.89 50.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.41 110.833 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -53.46 -53.48 50.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 73.3 110.889 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 74.2 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 63.4 110.9 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.776 0.322 . . . . 74.33 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.96 -59.53 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 54.12 111.127 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -135.94 165.02 26.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -144.09 -43.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 72.23 110.857 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -97.04 94.13 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.846 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.95 -173.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 75.33 110.888 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -57.2 175.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.846 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -90.58 106.06 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 75.14 110.86 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.29 -47.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 74.21 111.094 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.6 mmt -80.24 -44.51 19.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 63.01 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.34 -18.95 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 74.23 111.121 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.48 -28.41 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 75.22 111.138 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -86.07 -19.67 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 71.32 110.816 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -82.43 -49.63 9.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.13 110.85 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.63 -25.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.13 111.117 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tp -52.28 -52.03 55.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 60.42 110.932 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -61.79 -18.96 61.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 64.01 110.864 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.91 -38.22 46.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 65.34 110.846 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -87.97 -28.16 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.51 111.096 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.95 -18.91 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.13 110.871 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.49 -44.52 57.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.865 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -40.59 86.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.899 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.0 mt -51.76 -36.74 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 74.42 111.126 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 m -81.0 -26.19 36.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.909 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -59.05 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.893 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.6 tt -81.9 -19.97 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 75.11 111.128 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.51 -46.95 23.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 71.22 112.53 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.1 p -51.99 -42.2 62.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 62.35 111.149 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.97 -24.56 58.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 60.02 110.911 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.02 -20.43 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.808 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.31 -20.56 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 75.21 111.072 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.61 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.34 -23.19 35.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.21 111.091 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.75 -40.73 44.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 75.04 112.479 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 -88.79 -22.35 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 74.25 110.87 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mp -78.19 -36.05 47.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.883 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.82 -39.38 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 75.3 111.124 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -45.92 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 64.31 110.89 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mp -51.66 -45.17 63.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 75.31 110.946 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.68 -35.73 63.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 75.41 110.874 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 -61.82 -36.44 81.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.855 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -179.56 -34.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 75.43 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.48 16.27 49.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 74.22 112.471 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.51 -62.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 53.42 112.516 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.6 -133.28 49.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 75.32 112.502 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.15 -80.13 1.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 72.12 112.476 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.39 -139.49 3.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 63.41 112.469 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.49 -179.16 42.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 75.43 112.45 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -10.82 29.48 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.662 2.241 . . . . 74.04 112.353 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.31 -21.93 42.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.918 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -32.08 49.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.971 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -63.62 -56.42 15.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 74.4 110.928 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.5 m -67.8 -31.92 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 75.35 111.139 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.79 -35.21 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 75.22 111.1 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.417 ' N ' HD21 ' A' ' 55' ' ' ASN . 1.6 m-80 -86.77 -24.61 25.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.839 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.6 t -85.56 -45.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 71.13 111.134 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.11 -22.65 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.35 111.144 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.477 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.43 -60.76 5.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 74.45 110.863 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.4 Cg_endo -69.74 -29.81 23.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.687 2.258 . . . . 74.31 112.33 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -28.37 68.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 72.12 110.937 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -57.16 -56.65 19.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 74.5 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -26.88 41.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 74.1 110.894 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.0 -25.03 27.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 73.1 110.869 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.2 m -56.04 -41.29 74.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 72.11 110.86 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -57.03 -28.6 62.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 61.51 110.879 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.9 mt -71.09 -40.64 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 73.43 110.925 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -62.48 -20.02 64.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 64.42 111.153 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.55 -13.83 36.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 71.44 112.426 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 tp -91.09 -7.88 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 72.33 110.952 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.07 -31.63 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 72.3 111.111 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -98.76 1.14 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 73.3 110.84 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -118.54 -59.47 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.941 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 tp -142.94 75.13 17.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 73.33 110.951 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 129.28 17.38 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.692 2.261 . . . . 74.45 112.365 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -58.67 -21.38 54.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 72.11 111.14 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -176.55 -172.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.858 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -17.31 58.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 63.43 110.875 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.92 29.91 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 65.13 112.494 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -84.75 -45.98 11.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.93 0.395 . . . . 73.21 110.882 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.06 -33.7 50.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 74.4 110.891 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 21.8 mtt -68.93 -55.42 11.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.849 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 t -52.59 -28.73 22.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 73.23 111.158 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -78.29 -33.31 49.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 75.54 110.927 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.43 -26.08 35.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.51 110.824 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -67.69 -49.07 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -62.2 -18.05 59.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.43 110.826 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.3 t -75.16 -22.89 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.23 111.127 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.6 mt -69.88 -34.82 74.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.882 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -27.35 28.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 75.24 110.895 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.88 -19.89 28.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.848 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.87 -42.79 66.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 74.34 110.912 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 t -57.01 -23.66 47.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 75.54 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -37.64 50.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.855 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -34.15 76.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.87 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.44 -36.26 24.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 75.54 110.879 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -67.93 -32.52 73.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 73.25 110.897 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -12.35 61.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 75.43 110.905 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -23.78 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.138 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.59 -19.57 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 72.23 111.158 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.2 -20.04 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.843 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.63 -55.52 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 61.4 110.896 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -138.02 81.24 27.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 74.2 111.18 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.66 12.46 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.664 2.243 . . . . 74.53 112.38 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -35.52 74.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 61.42 110.868 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.6 p -90.78 -15.46 30.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 73.31 111.125 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.7 t -52.74 -24.17 8.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.32 110.886 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -59.27 -18.37 36.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 74.13 110.828 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.09 -14.08 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 74.03 111.09 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.46 8.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.648 0.737 . . . . 73.25 111.118 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.78 -14.27 35.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 74.32 112.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.37 -61.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.875 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.4 tt -76.65 -22.03 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 73.41 111.165 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.74 -27.49 13.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 61.13 112.474 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -61.84 -34.96 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 75.4 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -85.35 -29.03 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 75.33 110.941 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -65.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.875 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -28.52 64.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.872 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -43.34 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 73.41 110.902 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.9 m -80.35 -36.79 33.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 74.01 111.156 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -28.69 60.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.853 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.04 -16.94 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.912 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -85.98 -36.82 19.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 74.13 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 13.5 p -56.32 -24.54 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 73.44 111.152 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.24 -21.64 59.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.901 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.1 m -58.95 -22.34 59.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 75.33 110.853 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.9 m -64.09 -56.56 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.33 110.824 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.7 pt -66.25 -28.88 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 72.22 111.11 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -64.08 -46.05 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.894 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 20.3 mt -71.62 -54.47 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 73.55 111.14 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 7.1 p -58.03 -22.53 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.22 111.133 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -18.61 47.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.85 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -82.85 -20.0 36.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.923 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.34 -20.22 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 71.34 111.124 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -57.32 -23.58 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 75.11 111.116 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -52.89 -29.31 27.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 62.51 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.98 -39.42 9.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 74.32 111.113 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -23.97 67.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 70.43 110.834 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -79.31 -46.21 18.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.835 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -58.66 -68.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 73.2 110.861 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.87 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.785 0.326 . . . . 64.34 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.37 -61.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.3 111.084 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 t60 62.54 168.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 62.2 110.86 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -78.77 -175.33 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 75.52 110.814 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -175.36 147.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 64.12 110.869 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -114.52 -21.98 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 74.53 110.859 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.13 -170.24 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.05 110.846 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.57 106.3 8.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.844 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.92 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 75.54 111.044 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.3 mmt -80.23 -44.57 19.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 74.51 110.876 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.31 -18.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 72.2 111.084 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.46 -28.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 72.21 111.096 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.7 -19.69 30.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 73.51 110.857 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.77 -41.31 19.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.86 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mm -53.56 -27.89 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 75.22 111.179 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -41.82 71.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 71.53 110.895 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -65.69 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.886 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -40.15 47.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 73.01 110.84 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.06 -27.69 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 75.32 111.159 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -80.9 -18.94 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.33 -50.42 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 75.44 110.868 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -35.74 80.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.15 110.883 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.3 mt -52.18 -35.88 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.173 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.99 -25.93 36.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 64.34 110.855 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -77.56 -59.04 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.41 110.927 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -20.0 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.42 111.14 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -82.79 -29.69 34.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 70.31 112.497 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -92.0 -21.01 20.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 63.04 111.168 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.42 -46.6 31.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -61.23 -23.36 65.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.01 -20.49 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 70.22 111.161 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -86.2 -59.19 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.863 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.87 -22.15 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.02 111.088 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.65 -39.02 26.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 72.01 112.492 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.43 -23.54 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 73.44 110.868 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.03 -39.01 51.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.898 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.42 -40.55 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 75.04 111.148 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.04 -59.35 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.851 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -51.28 -33.42 28.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 72.44 110.927 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -56.25 -42.16 76.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 52.24 110.857 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -78.89 -43.19 25.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 70.42 110.908 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.65 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.896 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.19 27.65 24.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 64.23 112.474 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.92 -171.06 12.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 73.22 112.489 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.74 154.14 30.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 75.3 112.532 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 51.98 -136.15 34.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 64.22 112.497 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.38 -156.73 0.19 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 73.44 112.469 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.76 -179.54 19.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 61.4 112.496 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -10.73 29.34 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.642 2.228 . . . . 74.42 112.366 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.63 -25.9 41.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.971 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -69.77 -37.18 76.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 75.45 110.858 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.09 -31.02 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 74.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.8 t -88.13 -28.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 73.24 111.125 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.6 t -80.82 -29.26 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.41 111.141 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -87.53 -24.69 23.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.911 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -89.11 -27.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 74.02 111.153 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.14 -26.1 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 70.24 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mt-10 -51.31 -60.13 6.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.604 0.716 . . . . 71.44 110.865 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.79 -33.65 16.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 72.23 112.345 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -63.29 -31.01 72.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -57.45 11.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.34 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.8 40.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 75.04 110.879 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -24.86 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 71.13 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -37.18 73.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 72.33 110.816 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.57 -22.07 54.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.25 110.907 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.1 mt -69.17 -34.55 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.11 110.899 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.0 m -62.57 -19.49 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 73.44 111.193 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.19 -14.31 33.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 61.51 112.524 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 tp -91.09 -8.59 48.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 75.44 110.91 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.08 -31.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.4 111.148 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -97.89 1.19 47.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 72.3 110.89 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -118.74 -60.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.89 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.1 tp -142.66 74.93 18.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 71.22 110.871 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 129.34 17.49 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.258 . . . . 73.13 112.361 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.2 m -57.44 -22.95 46.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 62.31 111.123 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -176.16 -172.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 74.44 110.861 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.8 p -62.33 -17.3 58.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.0 110.913 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.24 30.13 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 62.41 112.431 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.47 -43.93 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 60.35 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.05 -33.9 33.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.878 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.3 mtt -69.39 -52.08 30.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.875 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -53.21 -28.84 28.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.118 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -77.3 -32.15 55.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 74.45 110.908 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -21.04 29.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 71.35 110.885 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -73.95 -47.6 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 75.44 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -62.14 -17.97 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 74.22 110.838 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.4 t -72.12 -22.97 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 65.14 111.124 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 37.6 mt -83.71 -37.09 23.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.906 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.92 -34.13 39.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 74.21 110.914 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.6 p -80.39 -19.97 45.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.871 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -69.19 -45.58 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.936 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.0 t -53.46 -27.28 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 73.23 111.152 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -26.92 35.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 71.43 110.897 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -27.95 29.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.03 110.938 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.2 -33.45 26.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.906 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -64.05 -24.31 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 75.55 110.885 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -12.12 60.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.898 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -23.89 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 75.52 111.106 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.37 -19.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.2 111.099 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.98 -20.35 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 64.54 110.879 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.63 -55.44 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 73.22 110.941 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.9 mp -137.92 82.01 26.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 75.21 111.142 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -3.27 11.68 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 73.33 112.321 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -11.58 60.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.894 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.7 p -79.95 -14.12 58.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 64.21 111.155 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -49.37 -26.66 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.42 110.842 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -43.4 70.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.14 110.878 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.37 -15.08 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.43 111.154 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.534 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.6 -56.99 9.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 74.15 111.131 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.8 -14.21 35.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 71.35 112.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -43.58 14.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.23 110.909 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.4 tt -89.06 -22.12 6.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 75.51 111.135 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.92 -27.23 12.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 60.12 112.467 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -61.2 -33.96 74.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 73.33 110.872 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -85.34 -35.63 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.958 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 72.24 110.879 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.35 -25.01 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.896 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -42.4 88.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.858 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 93.7 m -66.23 -50.2 64.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 64.04 111.143 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -56.53 -34.24 66.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.34 110.908 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.99 -17.04 36.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.01 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -85.97 -38.43 17.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 73.24 110.899 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.7 p -57.65 -23.11 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 70.52 111.117 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -59.14 -21.69 59.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.891 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 m -60.25 -38.39 83.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 71.5 110.844 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.8 m -52.08 -35.96 49.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 73.22 110.834 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.9 mp -84.08 -34.57 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 62.11 111.12 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -51.35 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 71.25 110.897 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.3 mt -60.11 -54.17 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 55.24 111.121 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -22.56 59.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 73.23 111.142 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -60.16 -18.46 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -84.71 -19.87 32.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.903 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.56 -25.72 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 73.45 111.123 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.77 -22.89 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 73.51 111.127 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -83.01 -24.7 32.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 75.05 110.884 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.05 -44.02 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.11 111.129 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -60.96 -30.52 70.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -76.22 -51.87 11.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 73.13 110.821 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -52.03 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.4 110.884 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.85 -179.795 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.799 0.333 . . . . 74.33 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.75 111.3 20.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 71.33 111.104 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -118.36 -8.49 10.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.869 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.21 -175.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.864 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -58.45 105.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.81 -169.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 74.4 110.873 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.29 -170.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.845 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.5 m80 63.54 105.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.831 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.13 -47.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 70.01 111.125 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.38 -44.51 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.12 110.853 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.29 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 72.15 111.158 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.43 -28.54 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 70.33 111.108 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.77 -18.44 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.879 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.68 -39.29 31.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.9 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.92 -25.01 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.102 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -50.31 63.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 75.21 110.904 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -61.67 -18.92 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 73.25 110.882 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -38.44 47.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 72.44 110.861 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.08 -28.24 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 65.54 111.116 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.93 -18.89 45.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 75.41 110.871 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -71.89 -58.06 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.838 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -42.81 67.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.891 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.4 mt -51.78 -35.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.5 111.117 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.03 -27.22 35.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 71.52 110.832 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -66.12 -58.95 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tp -82.53 -19.92 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 72.23 111.097 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.2 -15.99 81.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 62.45 112.494 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 p -86.47 -32.8 20.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 71.51 111.173 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -71.47 -39.99 70.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 63.54 110.869 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.2 t -60.13 -27.52 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.821 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.3 t -66.59 -20.49 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 72.44 111.165 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -86.79 -55.7 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.829 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.14 -22.59 29.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 75.32 111.078 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.48 -40.67 32.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 74.11 112.449 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.54 -20.35 25.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 74.15 110.876 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.11 -38.08 32.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.918 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.67 -50.01 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 70.21 111.171 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.79 -59.15 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.883 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.43 -33.87 32.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 64.1 110.929 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -69.0 -43.44 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 55.12 110.84 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.43 -42.39 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 62.34 110.93 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -179.63 -34.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.59 16.69 61.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 65.24 112.49 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -128.59 -179.2 15.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 62.13 112.476 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.06 114.37 1.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 60.44 112.526 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.22 -120.78 11.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 43.44 112.481 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.29 -152.99 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.724 . . . . 63.43 112.517 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.14 -164.89 23.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 72.13 112.457 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.66 26.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.659 2.239 . . . . 74.34 112.353 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.3 -25.99 59.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -25.68 68.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.12 110.933 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -76.74 -53.67 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 75.03 110.849 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.2 m -68.05 -32.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.105 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 t -71.91 -39.22 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 62.21 111.157 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -82.33 -24.72 34.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 t -84.97 -45.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 72.44 111.108 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.6 mm -74.96 -22.63 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 72.21 111.101 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.465 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.0 mt-10 -50.91 -60.66 5.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 70.15 110.883 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.74 -33.07 17.39 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 71.32 112.335 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.58 -30.69 71.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.846 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -56.99 -59.34 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -25.73 41.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.958 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -24.9 31.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.52 110.854 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -36.55 74.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 75.44 110.845 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.38 -21.01 53.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.24 110.907 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.3 mt -71.28 -35.43 71.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 74.41 110.909 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 m -62.39 -20.87 64.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.45 111.147 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.58 -12.9 42.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 60.12 112.491 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.1 tp -91.09 -10.33 42.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 74.31 110.914 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.11 -31.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.125 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -97.32 1.09 49.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 75.53 110.903 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -123.52 -58.02 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 75.44 110.908 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.3 mt -113.67 73.87 2.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.722 . . . . 71.12 110.882 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.0 16.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 70.14 112.349 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.3 p -109.58 -13.16 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 75.34 111.121 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -177.33 -179.12 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.881 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 p -59.54 -21.04 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 62.14 110.834 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.52 40.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 74.22 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.29 -48.19 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 75.14 110.869 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.14 -19.87 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 72.44 110.912 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.0 mtt -78.35 -41.34 33.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.906 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 t -56.16 -26.07 49.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 64.42 111.135 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -88.03 -19.97 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.919 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 m -77.11 -27.68 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 71.05 110.847 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -85.06 -37.04 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 74.11 110.917 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -62.19 -18.03 59.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.847 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 66.1 t -71.45 -29.89 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.42 111.122 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.8 mt -86.0 -34.26 20.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 75.12 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.72 -35.57 51.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.904 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.9 t -81.03 -19.98 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 64.15 110.884 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.52 -47.71 38.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.92 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 t -53.47 -27.69 26.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 73.53 111.138 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -37.84 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.916 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -83.64 -22.9 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 70.21 110.932 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.0 tp -77.12 -38.85 51.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 72.2 110.933 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -68.3 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.861 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -11.96 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.864 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -23.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 62.4 111.094 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.4 p -57.42 -19.83 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 74.41 111.152 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -19.87 31.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 63.2 110.936 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.58 -55.41 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.95 80.97 28.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 75.24 111.14 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -3.58 12.31 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.283 . . . . 74.43 112.297 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -35.62 75.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 72.45 110.862 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.85 -15.61 29.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 73.12 111.096 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -24.2 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 64.43 110.849 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -59.2 -18.42 36.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 54.12 110.851 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.06 -14.2 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 72.34 111.078 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.534 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.45 -57.52 8.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.633 0.73 . . . . 74.01 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.74 -14.22 35.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.623 2.215 . . . . 74.13 112.381 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.3 -61.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 72.42 110.953 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.9 tt -76.99 -21.91 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 72.23 111.154 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.99 -27.15 12.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 74.3 112.493 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -61.07 -33.47 73.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 74.24 110.879 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -85.34 -30.74 23.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.894 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 71.45 110.842 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -24.93 68.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 75.3 110.898 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -62.01 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.2 110.875 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 76.7 p -65.28 -36.03 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 63.33 111.138 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -35.39 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 75.41 110.914 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 -21.17 41.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -85.97 -27.25 25.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.943 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.02 -26.23 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 74.1 111.121 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.6 -19.96 59.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 62.3 110.896 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 m -52.05 -31.51 30.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.859 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -53.39 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 73.03 110.829 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 33.0 pt -75.86 -28.57 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 74.24 111.109 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -66.75 -43.61 83.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.875 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 20.1 mt -69.54 -57.34 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 70.24 111.137 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 8.9 p -58.05 -22.48 50.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 75.34 111.123 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -18.59 48.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 64.51 110.896 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -82.58 -21.13 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.4 -19.02 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 75.53 111.188 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -61.15 -23.3 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 73.21 111.153 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -52.84 -29.75 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 65.54 110.898 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.98 -42.95 9.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 65.42 111.134 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -53.91 -43.7 69.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.83 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -61.41 -54.1 47.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 65.33 110.841 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -53.68 -72.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.84 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 62.12 110.854 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mtm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.807 0.337 . . . . 75.25 110.871 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.12 100.84 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 52.51 111.117 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -140.17 113.37 8.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.83 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.55 179.96 8.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 71.31 110.844 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 63.12 60.54 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 75.14 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.93 106.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 73.22 110.849 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 60.22 98.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 74.14 110.823 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -73.47 106.88 5.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.838 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.59 -47.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 72.44 111.097 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.8 mmt -80.22 -44.53 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 72.01 110.88 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.29 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 72.15 111.13 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.41 -28.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 73.3 111.127 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.77 -19.55 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.841 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -83.96 -41.48 17.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 72.51 110.808 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -53.12 -28.39 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 75.04 111.174 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 tt -51.96 -48.6 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.921 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -60.66 -29.29 69.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.899 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -38.6 90.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 65.14 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.11 -28.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 65.12 111.167 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -18.95 45.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.55 110.876 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -73.17 -57.62 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.1 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -51.51 -41.1 60.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.5 mt -54.22 -34.77 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 73.13 111.123 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 t -81.02 -20.99 40.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.875 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -58.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 75.43 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -83.61 -20.05 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.138 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.03 -26.18 71.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 71.22 112.464 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.6 m -91.93 -36.44 13.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.741 0.305 . . . . 61.45 111.146 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.53 -35.51 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 64.24 110.908 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.8 t -65.94 -17.99 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 62.4 110.852 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.57 -20.54 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 75.35 111.157 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.79 -55.53 3.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.898 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -22.64 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.21 111.088 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.64 -40.61 31.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 64.44 112.463 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -88.53 -20.03 25.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 70.31 110.862 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.53 -38.17 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.947 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.69 -47.4 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.41 111.123 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -57.54 -59.25 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.05 110.928 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.67 -33.7 34.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 75.15 110.949 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -39.87 86.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 63.05 110.869 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.88 -41.92 15.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 74.51 110.883 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.4 -45.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.91 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.0 27.93 23.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.759 . . . . 74.54 112.526 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.68 175.96 37.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 73.01 112.455 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 134.29 156.5 7.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 70.43 112.505 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.2 -62.19 5.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 73.4 112.477 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.39 147.19 47.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 65.53 112.464 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.38 -179.58 50.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 64.13 112.47 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -10.89 29.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 74.25 112.349 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.49 -26.64 41.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.05 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.03 -38.28 90.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.947 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -30.46 71.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 74.3 110.865 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.71 -27.96 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.42 111.111 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.2 t -80.9 -28.41 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 72.13 111.155 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -24.68 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.34 110.905 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.98 -28.09 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 75.31 111.129 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.3 mm -91.24 -25.94 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.153 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.31 -60.18 6.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 72.05 110.908 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.74 -33.83 15.86 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.695 2.263 . . . . 74.24 112.333 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.4 -30.32 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.883 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -56.57 -60.46 3.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -25.56 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 75.33 110.863 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -24.78 33.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.2 110.859 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -36.04 81.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 60.3 110.875 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.26 -21.17 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 62.45 110.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.39 -31.22 71.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.05 110.917 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 m -62.61 -21.16 65.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 62.32 111.136 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.46 -13.25 42.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 53.01 112.484 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.3 tp -91.08 -9.59 45.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 73.23 110.937 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.04 -31.68 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.138 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -97.86 1.15 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -123.08 -58.85 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 71.23 110.905 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 tp -113.62 74.03 2.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 75.54 110.891 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.08 16.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 73.24 112.33 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.1 p -108.94 -13.8 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.32 111.121 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -177.18 -179.31 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 74.24 110.837 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -59.6 -20.96 59.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 54.21 110.885 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -175.34 35.59 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 62.31 112.46 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.97 -47.04 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.931 0.396 . . . . 74.31 110.906 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -81.02 -23.96 38.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 74.43 110.881 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.7 mtt -78.93 -48.85 13.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 62.44 110.875 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 t -55.27 -28.43 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 50.22 111.147 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -88.06 -19.95 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.97 -24.26 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.872 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -85.04 -36.96 20.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 75.13 110.863 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.1 t -62.15 -17.96 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 71.41 110.869 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.8 t -72.14 -25.57 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 74.41 111.08 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.5 mt -85.97 -32.16 21.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 74.2 110.926 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.11 -33.94 38.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.88 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.4 t -81.05 -19.93 42.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 75.13 110.868 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 tp -71.77 -46.68 57.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 73.51 110.892 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.0 t -53.63 -27.38 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 74.23 111.163 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -30.35 59.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.891 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -23.01 32.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.901 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -32.44 30.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.907 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -68.79 -33.88 74.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 72.42 110.902 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -12.06 61.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 74.21 110.856 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 tp -51.83 -23.35 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.31 -19.83 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.31 111.093 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -20.08 31.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 63.24 110.866 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.64 -55.01 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.89 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.9 mp -137.79 81.0 29.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.74 . . . . 72.33 111.122 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -2.19 9.76 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 74.45 112.348 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 t -68.83 -12.21 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 71.34 110.859 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.4 p -90.16 -14.18 34.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 62.22 111.167 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.3 m -49.58 -26.36 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 73.52 110.877 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 m -70.1 -43.35 71.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.845 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.5 -15.09 43.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.54 111.126 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.74 -57.03 9.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 71.42 111.172 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.78 -13.63 34.89 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 71.01 112.371 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.22 -44.58 13.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.928 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.7 tt -89.09 -22.09 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 72.05 111.098 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.82 12.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 74.12 112.486 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -59.76 -31.09 69.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 75.13 110.897 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -85.42 -30.22 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.961 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -65.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 71.55 110.839 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.7 -28.26 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.942 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -59.84 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.871 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.9 m -63.42 -38.28 90.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 75.53 111.187 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -23.07 67.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.881 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -84.74 -35.13 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.873 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.14 -21.62 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.926 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.14 -25.11 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 74.44 111.12 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.46 -25.65 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.906 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -33.73 70.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 72.15 110.823 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.6 m -59.47 -40.42 86.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.872 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.97 -32.08 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 74.21 111.104 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -42.94 99.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.15 110.869 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 59.6 mt -66.32 -43.52 91.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 74.14 111.127 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -22.57 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 75.41 111.168 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.2 -18.4 48.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.876 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -84.66 -19.9 32.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.48 -25.56 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 71.51 111.135 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.3 tp -78.17 -22.81 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 75.22 111.143 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -83.56 -22.85 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.906 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -34.46 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 71.12 111.126 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -69.68 -45.74 67.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 71.41 110.852 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -17.85 61.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.891 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -33.8 14.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.868 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.84 -179.79 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.773 0.321 . . . . 72.34 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.97 157.86 36.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 73.42 111.093 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -156.76 45.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 65.22 110.865 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.07 119.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.885 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.08 155.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.53 110.896 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -76.36 166.39 23.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.871 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 60.91 99.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.878 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -57.71 106.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.55 110.874 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.77 -47.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 75.12 111.097 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.23 -44.57 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.27 -18.95 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 75.42 111.143 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.41 -28.49 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 74.2 111.128 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -85.81 -26.33 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.861 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -48.44 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.839 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.14 -24.97 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.143 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.2 tp -53.7 -47.16 70.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 71.02 110.895 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -18.85 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.875 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -38.87 49.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 61.51 110.864 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.07 -28.23 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.141 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.86 -18.94 45.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 74.21 110.905 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -70.75 -57.0 5.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.32 110.891 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -46.06 64.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 72.35 110.903 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.5 mt -51.91 -38.14 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.33 111.151 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -23.91 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 72.43 110.884 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -59.04 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 75.3 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 pt -85.98 -20.07 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.101 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.32 -34.52 89.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 64.44 112.47 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 t -92.02 -29.09 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 74.24 111.133 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.63 -17.98 64.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 t -80.52 -17.96 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 65.11 110.86 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.75 -20.48 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.117 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.15 -59.26 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.884 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.74 -22.4 35.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 73.05 111.154 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.17 -39.42 27.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 74.3 112.445 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.15 -23.84 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 74.53 110.849 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -76.28 -39.35 54.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 72.34 110.985 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mp -75.47 -40.85 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 75.1 111.179 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -62.77 -59.09 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.25 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -50.41 -33.03 19.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.928 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -41.07 97.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 73.54 110.882 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -78.7 -41.49 30.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -179.52 -34.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.883 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.96 22.21 40.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 52.35 112.476 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.15 -142.54 5.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 72.01 112.489 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.54 106.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 71.1 112.48 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.14 -134.22 36.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 74.43 112.465 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.24 172.18 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 75.24 112.513 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.03 -164.94 25.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 74.22 112.51 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -9.84 27.07 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.683 2.255 . . . . 74.11 112.353 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.16 -29.39 61.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.13 -34.43 66.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.923 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.13 -39.96 91.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 75.31 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.52 -26.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 73.45 111.102 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.28 -31.75 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 62.34 111.129 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.25 -24.64 22.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 61.02 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 t -85.99 -45.24 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.45 111.152 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mm -74.77 -22.63 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 74.21 111.102 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.472 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mm-40 -51.96 -60.63 5.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 72.24 110.898 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.1 Cg_endo -69.78 -25.17 28.8 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 70.14 112.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -30.87 71.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.882 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -59.42 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.919 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.38 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.67 -24.78 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.852 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.5 m -53.05 -38.17 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 73.5 110.853 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.62 -23.13 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 75.01 110.89 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.6 mt -69.0 -33.7 74.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 72.03 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -62.67 -20.11 64.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.43 111.148 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.01 -13.62 39.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 63.44 112.488 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.3 tp -91.05 -8.62 48.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 54.11 110.891 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.07 -31.88 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.03 111.112 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -97.83 1.06 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.889 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -118.77 -60.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 74.15 110.962 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.1 mt -141.64 74.78 22.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 70.44 110.904 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 129.43 17.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 74.01 112.329 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.7 m -58.31 -21.78 50.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 62.54 111.157 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -176.72 -172.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 72.53 110.899 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.21 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.52 110.837 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.12 30.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 71.13 112.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.82 -44.47 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.947 0.404 . . . . 63.34 110.939 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.0 -32.93 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 73.44 110.902 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.8 mtt -70.07 -51.55 31.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.906 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -54.32 -28.68 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 73.42 111.132 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -83.52 -26.17 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 74.02 110.898 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -25.89 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.843 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -84.99 -36.7 21.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.91 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -17.95 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.889 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -71.01 -27.29 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 73.13 111.137 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.4 mt -86.03 -36.01 19.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.2 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -35.36 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.916 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -80.66 -19.94 44.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.817 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.25 -47.48 49.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.45 110.933 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 t -53.42 -27.57 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.45 111.086 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -30.97 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -22.93 32.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.889 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.1 tp -82.47 -45.79 14.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.91 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -60.67 -27.28 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -12.45 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.859 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.7 tp -51.84 -23.94 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 74.15 111.101 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -57.58 -19.81 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.53 111.149 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -19.87 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.63 -55.28 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.907 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.93 80.79 29.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 72.32 111.143 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.21 11.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 73.33 112.382 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.8 t -69.53 -35.44 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 70.22 110.864 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.64 -15.6 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.13 111.147 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -53.16 -23.75 9.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.865 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.19 -18.36 35.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.844 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.94 -14.29 56.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 73.41 111.089 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.522 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.46 -57.49 8.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.65 0.738 . . . . 61.43 111.171 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.81 -14.07 35.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 75.02 112.339 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.36 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.888 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.8 tt -77.25 -21.99 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.43 111.104 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.06 -26.97 12.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 75.32 112.489 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.26 -31.8 70.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 75.23 110.906 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -85.39 -34.45 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.894 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -65.19 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.912 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.59 -25.01 64.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.893 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -62.02 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.867 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.3 m -66.71 -38.29 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 74.11 111.17 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -54.02 -29.19 42.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 72.31 110.89 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -85.55 -25.44 26.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.91 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.07 -23.37 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 74.45 110.926 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 94.9 t -57.65 -23.08 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 75.41 111.138 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -66.68 -19.98 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 72.43 110.89 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -20.6 65.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 72.43 110.868 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.2 p -80.23 -37.71 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 72.33 110.822 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.6 pt -84.04 -26.41 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.45 111.102 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -76.55 -20.82 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.932 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 26.1 mt -85.07 -42.66 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 73.4 111.122 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 39.4 p -79.19 -22.53 44.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.21 111.158 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.07 -18.62 48.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -83.16 -20.53 34.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.905 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.31 -19.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 73.01 111.142 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -64.57 -23.03 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.44 111.172 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.2 -30.48 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 62.24 110.854 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.61 -38.14 10.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.42 111.207 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -45.07 93.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.843 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -56.56 -39.99 74.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.05 110.835 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.1 mtt-85 -64.88 -67.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.88 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 62.11 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 mtp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.788 0.328 . . . . 73.14 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.63 152.49 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 73.13 111.106 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -173.25 139.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 74.15 110.84 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -98.39 85.26 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.87 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -160.82 168.88 23.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.892 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -53.08 114.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 64.31 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.39 -169.91 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 72.21 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 34.6 m-70 63.56 105.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 65.3 110.836 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.4 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 61.44 111.099 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.0 mmm -78.27 -43.77 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 71.12 110.865 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -90.29 -19.19 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 71.35 111.098 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.3 -28.37 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.23 111.144 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.51 -24.31 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 70.42 110.865 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -43.02 56.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 72.45 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.17 -25.05 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 74.53 111.103 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.89 -53.14 44.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 75.51 110.944 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -61.65 -18.86 61.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.88 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -38.68 48.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.858 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.09 -28.2 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 73.02 111.091 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.92 -18.9 45.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 70.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.32 -56.98 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.87 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -36.38 80.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.891 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.2 mt -51.73 -33.24 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 73.55 111.092 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.04 -30.24 34.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 60.3 110.86 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -59.06 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 72.5 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -23.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 71.53 111.123 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -83.99 -55.97 2.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.691 -0.766 . . . . 75.43 112.504 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -52.03 -34.64 44.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 72.2 111.137 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.71 -34.62 74.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.866 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -82.0 -22.87 36.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 75.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.6 t -68.22 -20.59 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.179 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.17 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 72.45 110.886 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.55 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 71.51 111.097 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -78.93 -38.55 22.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 74.13 112.516 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -23.86 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 74.14 110.869 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.0 -39.77 49.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 74.13 110.884 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.55 -40.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 75.13 111.131 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.69 -59.02 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.921 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -50.46 -35.82 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.921 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -38.94 73.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 71.12 110.852 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -64.87 -38.66 91.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 65.1 110.927 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.51 -41.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 63.22 110.89 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.13 27.43 22.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 65.12 112.515 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.66 -171.57 13.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 52.14 112.501 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.63 -146.8 18.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 74.42 112.531 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.87 -116.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 72.31 112.51 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.19 159.0 2.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 63.34 112.452 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.94 -165.43 29.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 71.53 112.534 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -9.69 26.71 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.719 2.28 . . . . 73.24 112.286 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.48 -31.01 62.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 65.32 110.929 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.84 -29.37 55.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 72.12 110.95 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.83 -36.38 80.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 74.3 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.07 -26.32 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 75.1 111.126 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.7 -31.51 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 70.4 111.131 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.17 -24.7 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.905 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.9 t -86.1 -45.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 74.14 111.112 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.4 mm -74.64 -22.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 73.52 111.127 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.93 -60.74 5.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.73 . . . . 64.55 110.918 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.8 Cg_endo -69.75 -24.97 29.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.714 2.276 . . . . 74.33 112.37 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.31 70.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.25 110.938 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -56.65 -59.76 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.34 40.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 71.0 110.913 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.71 -24.74 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.852 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -38.98 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 74.43 110.85 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -65.06 -25.62 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 75.42 110.842 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -68.95 -34.21 74.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 71.22 110.92 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -62.64 -20.49 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 71.13 111.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.97 -13.77 38.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 63.42 112.519 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.08 -9.2 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 75.43 110.907 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.12 -31.85 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 74.04 111.099 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -97.31 1.11 49.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -119.0 -60.58 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 71.32 110.921 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.55 74.7 23.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 74.21 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.47 17.65 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.25 . . . . 72.45 112.335 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 100.0 m -57.58 -22.79 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.12 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -176.41 -172.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.6 p -62.46 -17.24 59.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.893 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.81 30.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 64.21 112.466 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.75 -44.35 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 73.24 110.903 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.04 -34.19 32.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 61.53 110.853 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.4 mtt -68.69 -51.87 37.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 71.55 110.89 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 t -54.06 -28.67 40.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 75.34 111.146 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.92 -28.1 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 75.15 110.907 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -84.97 -26.11 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.91 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.98 -33.37 22.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 73.55 110.914 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -18.02 59.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.852 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.6 t -86.52 -23.0 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 72.54 111.15 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.9 mt -69.37 -36.29 76.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.92 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.69 -34.15 40.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 73.11 110.914 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -19.96 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.883 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 tp -70.16 -46.05 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 72.34 110.893 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.0 t -53.53 -27.02 23.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 72.22 111.136 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -26.32 36.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 73.03 110.919 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -28.65 56.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 64.14 110.886 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.11 -36.08 25.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.927 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.53 -23.03 48.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 63.42 110.909 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -12.46 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.9 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -51.49 -24.46 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.33 111.102 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.4 p -57.74 -19.42 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.15 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -85.3 -20.1 30.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.05 110.903 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.8 -55.31 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 72.33 110.935 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.9 mp -137.85 81.68 27.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 75.44 111.178 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -2.83 10.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 72.43 112.323 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.2 t -69.15 -11.74 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 64.42 110.887 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.8 p -80.12 -14.03 58.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 75.41 111.185 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 t -49.36 -26.58 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.3 110.818 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -43.43 71.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.859 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.5 -14.98 44.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 75.15 111.129 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.64 -56.92 9.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 72.24 111.155 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.77 -14.32 35.9 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.273 . . . . 62.53 112.356 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -43.41 14.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 70.13 110.914 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.4 tt -89.11 -21.98 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.42 111.089 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.34 -27.83 12.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 63.12 112.438 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -62.07 -36.62 82.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 74.54 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.45 -33.03 21.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 72.01 110.92 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.7 mtp -51.89 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 65.13 110.914 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -60.25 -26.98 66.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 73.2 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -47.55 68.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.918 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 31.9 m -57.91 -55.23 37.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 72.13 111.144 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -51.94 -43.85 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.932 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.62 -41.73 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 74.32 110.864 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -58.8 -23.81 60.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.909 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 97.0 t -57.71 -23.0 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.45 111.17 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -59.26 -21.67 59.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 71.14 110.87 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.5 p -54.88 -30.11 57.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 75.54 110.834 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -56.55 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.837 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 42.8 pt -64.74 -26.7 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.143 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -72.19 -48.68 41.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.44 110.876 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 22.3 mt -63.72 -42.05 94.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 75.42 111.145 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 5.4 p -69.34 -22.56 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 72.14 111.143 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.24 -18.34 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 75.12 110.884 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -84.68 -19.84 32.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.909 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.51 -25.61 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.12 111.138 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.3 tp -78.08 -22.87 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 74.25 111.121 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -22.97 32.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.42 110.885 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.09 -34.33 11.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 72.31 111.134 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -69.79 -45.66 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.855 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -17.98 61.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 72.34 110.815 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.15 -33.83 14.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 74.43 110.888 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.884 -179.806 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.755 0.312 . . . . 72.15 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.29 133.92 46.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 75.14 111.106 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.97 162.28 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.1 110.822 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -91.8 -64.2 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.837 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -60.39 129.8 43.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 71.31 110.834 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 55.95 65.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.918 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.53 117.16 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.849 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 63.56 105.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.823 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.29 -47.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 61.11 111.068 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.2 mmt -80.3 -44.5 19.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.24 -19.03 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 75.42 111.11 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.38 -28.52 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.21 111.113 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.22 -20.49 60.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 64.25 110.857 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.1 -48.16 10.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.55 110.828 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.4 mt -56.17 -24.94 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 75.15 111.13 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.72 -50.72 62.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 64.32 110.972 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -61.26 -18.87 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 74.01 110.898 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.72 -39.4 52.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.862 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -28.13 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.33 111.098 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.72 -18.98 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -70.06 -43.04 72.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.1 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.53 -46.07 63.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.4 110.893 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mp -52.48 -38.15 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 73.3 111.192 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.3 m -81.0 -22.11 39.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.892 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -58.99 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.89 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.8 tt -82.82 -19.96 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.117 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.2 -20.53 79.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 62.32 112.472 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -76.66 -40.41 49.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 65.13 111.148 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.82 -23.95 65.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.893 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -73.27 -21.85 60.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 65.01 110.853 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 t -68.73 -20.47 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 71.4 111.092 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -59.16 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.881 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.6 -22.57 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 72.3 111.129 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.73 -39.61 28.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 72.2 112.501 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.22 -22.96 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 73.31 110.896 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -77.16 -38.88 50.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 73.43 110.971 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.61 -41.68 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.22 111.127 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.61 -57.69 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 75.21 110.871 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -49.42 -31.02 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 64.43 110.918 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -64.32 -51.62 62.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.88 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -74.41 -56.63 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 64.43 110.902 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.45 52.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.859 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.53 -16.78 72.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 62.01 112.51 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -102.84 79.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 73.24 112.487 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.74 -112.5 1.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 54.1 112.528 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.19 -94.37 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 53.53 112.482 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.92 -178.98 14.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 73.43 112.533 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.74 -177.96 18.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.468 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -10.84 29.5 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 74.22 112.319 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.46 -24.71 39.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.934 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -65.83 -37.66 86.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 65.23 110.95 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -49.04 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.03 110.87 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.0 t -72.41 -31.42 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 74.41 111.112 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.92 -34.6 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 72.52 111.142 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.16 -24.31 26.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.2 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.5 t -86.45 -44.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 70.54 111.167 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -74.91 -23.56 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.155 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.473 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.4 mm-40 -51.59 -60.7 5.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.672 0.748 . . . . 74.24 110.915 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.4 Cg_endo -69.75 -23.64 30.59 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.616 2.211 . . . . 74.54 112.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -32.76 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 72.01 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -54.4 -60.47 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -56.02 -25.11 43.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 74.14 110.908 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.56 -24.72 33.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.826 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.3 m -52.91 -29.11 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 72.34 110.866 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -57.02 -24.14 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 75.15 110.884 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mt -74.38 -47.85 31.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.943 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.0 p -66.34 -13.46 60.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 74.54 111.143 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.84 -14.1 32.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 63.21 112.472 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -17.26 26.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 75.23 110.897 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.1 t -94.64 -31.89 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 71.55 111.145 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -91.33 1.06 57.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.862 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -105.8 -66.02 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.951 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.1 tp -150.72 71.99 8.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 73.05 110.948 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 129.25 17.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 72.51 112.336 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -112.43 43.68 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 63.11 111.142 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.81 166.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.899 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 m -65.9 -14.36 61.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.855 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.21 43.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.752 . . . . 71.43 112.47 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.93 -60.7 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 74.34 110.897 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.16 -20.03 42.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.888 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.6 mtt -68.57 -54.41 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.891 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t -54.02 -31.56 51.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.11 111.156 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -88.03 -20.02 26.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.931 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.21 -21.02 31.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.883 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -77.93 -53.29 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.23 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.9 m -62.1 -17.96 59.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 64.1 110.871 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.13 -31.6 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 70.4 111.108 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.96 -33.68 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 52.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -27.85 28.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 71.5 110.887 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 t -87.17 -19.8 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.861 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -42.1 62.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 72.11 110.893 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -58.3 -22.07 51.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 71.33 111.116 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.51 -38.99 56.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.899 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -33.26 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.883 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 tp -83.41 -47.2 11.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.909 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.64 -24.99 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.921 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -12.6 61.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.918 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 tp -51.77 -23.78 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 71.25 111.108 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.22 -20.17 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.21 111.106 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -19.48 33.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 75.21 110.852 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.54 -55.05 2.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.94 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.78 79.84 32.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 75.12 111.155 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -2.89 10.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 71.13 112.365 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 p -69.51 -35.63 75.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 71.32 110.862 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.4 p -90.93 -15.55 29.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.54 111.126 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 t -53.32 -23.79 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 53.12 110.836 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -59.16 -18.58 37.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 73.33 110.852 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.2 -14.03 56.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 64.01 111.107 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.537 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.42 8.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.73 . . . . 73.01 111.125 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.76 -14.24 35.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 71.01 112.328 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.45 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.8 tt -76.9 -21.95 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 74.24 111.104 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.13 -26.59 12.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 73.01 112.439 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -59.57 -29.84 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.771 0.32 . . . . 75.11 110.868 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -85.29 -35.31 21.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 75.22 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.841 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.13 -25.53 63.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 75.11 110.918 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -61.64 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.882 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.7 m -67.52 -37.14 82.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 75.34 111.17 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -57.06 -25.8 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.933 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -81.91 -20.92 37.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.887 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -84.11 -21.06 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.0 -27.38 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 74.03 111.103 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -19.98 59.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.869 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 t -60.72 -24.61 65.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.845 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.4 m -72.59 -56.51 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 72.21 110.834 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 21.0 pt -60.78 -24.02 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 73.2 111.149 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -50.33 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.875 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 33.8 mt -65.97 -43.0 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 75.34 111.164 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.3 p -71.33 -22.52 61.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 63.13 111.145 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -18.35 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.875 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -19.85 31.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 64.15 110.9 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.66 -25.73 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 74.52 111.153 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.58 -22.85 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 72.32 111.167 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -82.52 -25.49 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.899 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -44.04 7.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 60.34 111.147 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -60.39 -40.14 89.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 73.53 110.84 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -63.92 -43.37 96.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.854 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -52.03 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 74.34 110.875 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 71.41 110.852 -179.803 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.762 0.315 . . . . 62.12 110.867 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.64 -59.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 74.04 111.109 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.75 -67.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 75.21 110.852 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.95 147.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 74.44 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -139.62 -176.49 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.908 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -70.46 153.02 43.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 75.42 110.856 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 62.16 168.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 71.32 110.823 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.38 106.19 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.902 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.66 -47.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 52.34 111.119 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.9 mmt -80.16 -44.58 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 72.3 110.891 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.25 -18.97 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.32 111.191 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -28.52 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 64.42 111.159 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -76.62 -21.12 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 63.54 110.848 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -78.18 -22.11 49.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.794 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 mm -77.56 -24.95 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 75.4 111.133 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -42.43 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.906 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -53.0 -33.27 50.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.933 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t -66.47 -32.29 73.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.91 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -88.13 -32.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 75.43 111.13 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.63 -18.92 46.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 65.43 110.86 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.58 -45.24 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 63.12 110.903 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -44.83 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 73.33 110.882 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.3 mt -51.76 -43.0 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.22 111.121 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 m -81.1 -20.98 40.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 73.15 110.831 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -68.67 -59.06 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 72.52 110.878 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -86.07 -20.0 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 74.21 111.114 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.11 -52.37 6.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 75.45 112.487 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.5 m -51.95 -48.9 64.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 71.05 111.17 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.88 -23.2 65.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.872 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -82.0 -28.35 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.892 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.29 -20.47 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 70.54 111.134 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -86.65 -56.62 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -23.12 34.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.116 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.82 -40.81 43.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 61.01 112.494 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.0 mmm-85 -88.73 -22.38 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 71.31 110.891 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.17 -36.09 47.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.86 -39.57 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 71.33 111.152 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.67 -45.74 61.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.888 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.5 -37.2 47.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.895 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -45.38 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.87 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.98 -43.71 63.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.937 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -179.45 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.885 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.22 23.64 33.87 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 74.23 112.449 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.78 -157.93 13.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.689 -0.767 . . . . 72.23 112.469 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.16 169.82 18.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 74.12 112.481 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.16 -88.83 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.748 . . . . 71.23 112.479 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.83 159.4 3.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 61.14 112.479 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.83 -179.68 38.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 70.11 112.505 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.76 29.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.667 2.245 . . . . 74.42 112.34 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.39 -29.86 37.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.31 110.922 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -39.31 86.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 73.44 110.924 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -31.13 72.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.4 110.837 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.7 t -88.16 -28.39 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 74.31 111.115 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.93 -28.21 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.34 111.124 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.78 -24.72 22.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 62.44 110.84 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 p -89.0 -28.09 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.1 111.168 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.1 mm -91.19 -25.93 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.44 111.135 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mt-10 -51.25 -60.22 6.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 74.43 110.879 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.6 Cg_endo -69.8 -33.79 15.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.7 2.267 . . . . 71.2 112.316 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -63.68 -29.89 71.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 74.03 110.845 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -59.24 5.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 72.5 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -25.77 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.35 110.894 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -24.83 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.909 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -38.61 65.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 62.32 110.878 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -78.04 -23.82 48.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 62.04 110.855 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.79 -33.34 74.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 74.32 110.918 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.1 m -62.66 -19.95 64.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 75.04 111.075 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.05 -13.62 38.99 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 63.23 112.449 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.4 tp -91.1 -7.94 50.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 73.42 110.91 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.92 -31.77 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 74.52 111.165 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -98.59 1.11 46.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.866 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -118.51 -59.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 65.25 110.894 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 tp -141.73 75.01 22.22 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.651 0.738 . . . . 74.5 110.906 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.34 17.41 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 52.54 112.344 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.0 m -60.55 -19.01 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 73.35 111.147 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.78 -171.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.806 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.2 p -64.58 -15.67 61.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.834 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.1 31.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 74.43 112.489 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -85.5 -45.71 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 72.25 110.865 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.64 -32.48 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 73.21 110.868 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.7 mtt -71.15 -53.68 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.842 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 t -53.82 -28.02 33.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 73.35 111.193 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -83.08 -28.34 29.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.904 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.01 -20.98 29.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 71.25 110.881 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -84.68 -38.73 19.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.881 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -18.02 59.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.865 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.62 -31.1 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.13 111.173 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.97 -34.46 20.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 73.53 110.911 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -76.34 -36.52 58.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.867 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.0 t -81.01 -19.88 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 54.22 110.846 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 tp -74.8 -48.13 27.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.879 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.4 t -53.71 -27.45 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 72.02 111.134 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.34 -33.14 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 71.34 110.895 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -83.57 -22.95 32.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.908 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.9 tp -81.58 -38.04 26.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 74.52 110.914 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -70.69 -26.09 63.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 73.02 110.875 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -10.32 59.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.869 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.7 tp -50.19 -25.05 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.13 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.22 -19.9 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.137 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -83.92 -20.24 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.905 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.74 -54.95 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.916 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.82 80.99 29.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 74.21 111.158 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -3.42 11.93 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.661 2.241 . . . . 65.55 112.388 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -35.8 75.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.53 110.839 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.9 p -91.1 -15.62 29.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 71.31 111.149 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.4 t -56.93 -20.59 24.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.832 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -59.11 -18.45 35.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 74.22 110.852 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.06 -14.13 56.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 71.03 111.095 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.46 8.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 74.11 111.153 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.2 Cg_endo -69.8 -14.17 35.58 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 74.41 112.319 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.44 -61.3 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.893 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.8 tt -76.79 -21.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 62.22 111.151 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -49.88 -28.74 12.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 62.12 112.504 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -64.34 -39.18 93.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 75.15 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -85.13 -22.5 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.14 110.908 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -65.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 73.41 110.832 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.75 -26.4 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 65.3 110.928 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -60.13 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.856 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 53.0 m -70.28 -38.66 75.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 74.21 111.12 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -27.1 36.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.935 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.48 -27.79 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.892 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.57 -21.68 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 64.25 110.839 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.99 -28.15 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.22 111.157 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -66.26 -20.87 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.936 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.9 m -56.01 -25.76 45.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 55.03 110.796 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -33.75 67.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 73.25 110.837 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.3 mp -83.43 -24.01 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 73.24 111.153 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -52.17 -39.84 60.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.93 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 21.2 mt -66.7 -58.06 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.22 111.076 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -22.52 49.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 73.52 111.14 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.92 -18.71 47.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.864 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -84.84 -33.43 22.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.873 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.09 -21.37 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.34 111.131 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.94 -28.04 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 73.1 111.091 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.73 -36.07 24.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 74.0 110.889 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.26 -42.52 8.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.128 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -55.55 -53.78 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 72.04 110.842 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -53.58 -53.49 50.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.843 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -74.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 64.02 110.905 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 70.21 110.882 -179.834 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.804 0.335 . . . . 74.31 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.69 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 75.45 111.13 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -101.42 76.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 65.43 110.862 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.62 117.44 28.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 71.13 110.852 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -120.8 27.43 8.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 73.44 110.861 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.59 -55.84 2.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.841 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.61 161.03 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 74.54 110.879 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.35 106.22 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 73.41 110.805 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.52 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 75.3 111.147 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 mmt -80.24 -44.6 19.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 61.13 110.869 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.6 m -90.2 -19.01 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 74.54 111.163 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.43 -28.49 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 64.42 111.137 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -84.9 -20.34 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.12 -48.81 19.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.806 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.2 mm -56.14 -24.95 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.34 111.132 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.6 tt -54.07 -45.22 71.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.925 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -63.01 -19.07 64.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.866 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.79 -34.14 30.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 70.44 110.904 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t -88.1 -31.43 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.02 111.1 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.48 -18.89 47.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.4 110.912 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.68 -45.69 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 75.12 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -36.52 69.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.902 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mt -51.96 -40.04 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.11 111.15 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.09 -20.99 40.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 73.42 110.858 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -65.69 -59.02 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.932 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 pt -81.57 -20.03 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 74.25 111.132 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.68 75.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.479 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 p -92.0 -21.01 20.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.728 0.299 . . . . 75.25 111.097 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.99 -29.75 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 71.03 110.889 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.0 p -82.04 -17.96 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.52 110.835 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.26 -20.47 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 73.45 111.15 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -87.27 -56.42 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 73.35 110.815 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.85 -26.33 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.14 111.145 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.98 -39.19 93.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 75.1 112.492 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.86 -24.4 22.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 75.11 110.854 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mp -77.07 -35.26 56.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 75.53 110.943 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.8 -50.44 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.11 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.82 -57.67 11.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 62.24 110.86 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mp -51.34 -36.13 41.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 72.44 110.95 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t -65.13 -41.22 95.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 72.51 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -74.48 -40.68 61.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.901 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.86 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.878 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.7 -24.74 29.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 74.52 112.508 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.25 -174.64 35.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 53.03 112.479 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.81 -53.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 32.32 112.49 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.1 -117.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.676 -0.773 . . . . 53.42 112.503 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.14 147.31 13.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 71.0 112.497 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.03 -165.43 27.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.684 -0.77 . . . . 74.14 112.524 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 73.52 112.383 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -73.76 -35.88 65.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -38.14 89.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.969 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -65.61 -49.51 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 74.35 110.864 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.48 -34.14 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 75.1 111.139 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.6 -36.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.41 111.106 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.408 HD21 ' N ' ' A' ' 55' ' ' ASN . 1.5 m-80 -82.99 -23.94 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.911 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.2 t -87.54 -44.23 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.42 111.11 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.1 mm -74.06 -24.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 73.35 111.119 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.474 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.7 mt-10 -52.14 -60.38 6.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 75.13 110.915 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.6 Cg_endo -69.74 -20.89 34.35 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 74.21 112.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.9 m -66.16 -34.44 78.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.904 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -62.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 75.3 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -56.26 -24.87 45.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 75.25 110.881 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -24.39 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.5 110.885 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.3 m -55.55 -34.26 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.842 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.81 -20.89 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.924 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.6 mt -73.71 -48.55 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 73.01 110.938 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.8 t -64.4 -14.88 59.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.154 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.44 -13.14 36.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 73.5 112.486 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -12.46 35.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 74.41 110.944 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.21 -44.34 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 64.34 111.127 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -83.05 1.14 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 63.31 110.887 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -120.18 -67.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 74.22 110.931 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -120.2 76.41 23.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 73.34 110.933 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 129.0 16.92 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.733 2.289 . . . . 74.05 112.337 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.5 p -102.94 -13.21 17.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -176.42 179.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 54.2 110.897 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.8 m -60.14 -20.58 59.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.846 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.56 41.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 72.45 112.489 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -67.05 -51.54 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 73.22 110.84 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.21 -30.91 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 70.34 110.947 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.8 mtt -63.5 -40.11 96.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 74.34 110.893 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -56.55 -23.81 42.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 71.5 111.116 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -80.13 -24.15 40.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.875 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 t -81.84 -27.9 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 72.32 110.861 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -63.53 -28.97 70.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 73.12 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.03 -17.97 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 33.14 110.853 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.5 t -73.8 -29.03 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.33 111.115 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.2 mt -86.08 -35.27 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 64.54 110.936 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -76.7 -36.31 57.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.931 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.2 p -80.56 -19.87 44.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.835 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 tp -73.88 -48.3 31.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.928 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.5 t -53.8 -27.09 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 62.0 111.145 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -26.84 38.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.895 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -27.25 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.873 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -83.18 -49.23 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 74.04 110.944 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -57.72 -26.45 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.11 110.92 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -12.88 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.897 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.8 tp -52.05 -24.34 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.12 111.16 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -57.77 -19.55 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 75.14 111.15 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -85.19 -19.98 30.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 55.14 110.863 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.64 -55.35 2.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 74.12 110.967 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.95 81.26 28.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 74.51 111.141 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -3.4 11.9 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.717 2.278 . . . . 74.43 112.389 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -35.42 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.859 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 81.5 p -90.68 -15.47 30.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.22 111.158 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.7 t -52.98 -23.79 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 63.44 110.876 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -59.11 -18.44 35.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 71.11 110.84 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.92 -14.22 56.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 52.31 111.113 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.531 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.51 -57.5 8.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.667 0.746 . . . . 74.45 111.124 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.8 -14.0 35.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 65.41 112.317 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.44 -61.29 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.896 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.9 tt -77.29 -22.03 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.35 111.088 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.71 -27.56 13.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 64.35 112.48 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -61.52 -35.0 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 75.22 110.913 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -85.46 -30.57 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -65.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 75.53 110.888 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -26.88 63.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.93 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -61.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.886 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 30.6 m -63.04 -37.9 89.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.1 111.152 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -55.36 -34.45 64.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.873 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.01 -17.0 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 70.11 110.867 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -85.45 -23.87 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.901 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.73 -23.01 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 74.4 111.104 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.42 -19.94 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.93 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.4 m -56.13 -26.83 51.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.5 110.81 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.8 t -52.99 -41.53 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.839 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.31 -23.98 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 75.51 111.13 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -31.25 63.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 73.03 110.901 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.3 mp -75.93 -54.39 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.32 111.147 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -22.57 49.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 73.23 111.119 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -59.87 -18.73 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.897 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.79 -33.48 22.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 64.41 110.867 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -21.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 60.13 111.126 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.1 tt -52.9 -28.03 13.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 75.22 111.129 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.72 -36.08 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.907 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -42.03 8.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 55.42 111.136 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -54.18 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 73.12 110.854 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -53.08 -53.4 50.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.847 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.52 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.883 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 94.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.883 -179.827 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.821 0.343 . . . . 74.35 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.47 129.34 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 74.24 111.112 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.85 132.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.2 110.892 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -73.48 102.26 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.838 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.98 -178.13 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.871 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.5 m80 59.95 93.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 73.41 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.39 -170.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.881 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -121.39 106.37 11.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 72.55 110.843 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.23 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 63.11 111.09 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.8 mmt -80.15 -44.52 19.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 75.21 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.25 -18.98 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 71.41 111.139 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.39 -28.51 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.21 111.114 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.54 -25.37 38.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 75.24 110.873 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -48.77 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 74.31 110.85 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.08 -24.97 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.43 111.163 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.3 tp -51.98 -45.19 64.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 74.15 110.881 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -28.43 69.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 75.13 110.881 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -36.36 77.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 75.14 110.864 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -87.99 -28.17 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.51 111.147 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -18.91 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 75.14 110.873 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -79.54 -42.11 25.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.1 110.852 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -46.55 81.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.886 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.3 mt -51.53 -40.91 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.11 111.178 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.4 m -81.03 -21.02 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -69.0 -59.09 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.05 110.862 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tt -85.99 -19.92 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.41 111.157 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.62 -55.97 17.5 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.728 -0.749 . . . . 60.15 112.524 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.0 p -61.72 -20.91 64.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.747 0.308 . . . . 72.34 111.159 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -72.29 -38.58 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.885 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 m -82.01 -22.82 36.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.35 110.856 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.07 -20.61 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 75.23 111.14 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -86.11 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.43 -23.09 47.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 72.22 111.107 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.35 -39.92 41.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 71.32 112.459 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.65 -26.7 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 73.25 110.879 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -71.87 -37.95 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 72.22 110.906 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.91 -37.61 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.126 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -46.21 87.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.896 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -51.65 -29.59 18.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 70.2 110.893 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m -80.02 -56.52 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 75.52 110.892 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -51.29 -55.5 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 72.54 110.924 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.87 50.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 70.54 110.86 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.64 12.27 25.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 70.13 112.476 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.35 41.5 2.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 74.03 112.479 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.0 175.7 42.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 73.45 112.432 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.13 -151.17 7.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 65.42 112.512 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.18 154.56 5.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 75.24 112.501 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.39 -179.55 39.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 70.3 112.509 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.719 2.28 . . . . 73.41 112.344 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.22 -33.69 37.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 73.53 110.901 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.88 -36.31 82.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.878 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -64.37 -50.64 66.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 75.32 110.866 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.7 t -70.4 -32.2 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.12 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -73.56 -34.98 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 71.51 111.111 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.09 -24.23 26.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 62.45 110.889 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 t -86.29 -45.02 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 75.31 111.156 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mm -74.53 -23.36 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.13 111.12 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.463 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.6 -60.88 5.01 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.658 0.742 . . . . 74.34 110.908 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.463 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.75 -24.07 30.11 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 54.24 112.342 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -33.43 75.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 53.51 110.912 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -51.7 -55.9 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.876 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -25.5 51.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.874 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.09 -24.63 27.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 71.35 110.899 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -35.67 56.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.899 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.6 -26.08 41.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 73.02 110.887 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 mt -71.91 -37.99 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 75.33 110.923 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.8 m -62.48 -21.01 65.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 74.34 111.126 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.6 -13.66 40.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 71.15 112.475 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 tp -91.01 -8.11 50.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.341 . . . . 74.3 110.935 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.09 -31.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 72.11 111.122 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -98.29 1.11 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.88 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -118.55 -59.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 73.4 110.925 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.74 75.11 18.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 74.33 110.911 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 129.52 17.72 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 63.32 112.36 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.6 m -58.31 -21.89 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.04 111.133 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.42 -172.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.867 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.7 p -62.54 -17.13 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.89 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.94 30.44 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 55.53 112.453 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.09 -44.24 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 71.51 110.889 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.07 -33.57 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 73.23 110.902 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.8 mtt -69.42 -53.92 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 64.03 110.876 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 t -53.85 -27.54 30.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 65.32 111.158 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -82.97 -28.96 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 74.31 110.886 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.96 -21.0 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 62.45 110.885 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.73 -42.65 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 72.45 110.906 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 m -61.93 -18.27 59.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 54.1 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -87.01 -22.98 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.03 111.129 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.11 -33.95 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.919 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -27.6 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.3 110.918 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.7 m -87.22 -19.77 27.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.84 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.36 -42.35 62.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.901 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -58.41 -22.03 52.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 71.35 111.145 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -51.01 -41.2 59.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 74.42 110.89 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -55.56 -33.72 64.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.874 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -83.39 -48.8 9.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.916 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -57.46 -24.87 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.913 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -13.04 61.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 75.02 110.889 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.9 tp -51.97 -24.23 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 73.44 111.148 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.7 p -57.66 -19.83 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 72.23 111.162 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -84.83 -19.49 32.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.887 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.6 -55.16 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.919 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.7 mp -137.85 79.99 31.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 72.34 111.097 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -3.4 11.97 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.66 2.24 . . . . 62.31 112.348 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -36.07 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 75.35 110.884 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.26 -15.74 28.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 73.12 111.148 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 m -61.48 -16.62 48.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.878 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.07 -18.72 37.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.04 110.854 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.34 -13.8 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 54.45 111.132 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.538 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.31 -57.41 8.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 74.12 111.131 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.0 Cg_endo -69.76 -14.23 35.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 74.01 112.373 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -61.42 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.902 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.23 -21.82 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 75.31 111.138 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.67 -27.13 11.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 53.04 112.475 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.35 -33.67 72.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.21 110.906 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -85.43 -32.26 22.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.956 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -65.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 65.52 110.864 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.36 -29.98 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 72.5 110.9 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -58.37 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 65.32 110.952 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.6 m -70.25 -37.05 74.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 71.52 111.174 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -26.55 48.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.875 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.94 -22.27 27.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.91 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -85.99 -36.75 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 71.14 110.859 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.55 -23.05 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.163 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -19.98 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.862 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -25.34 48.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 70.12 110.803 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.2 t -52.06 -36.68 51.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.871 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.93 -25.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 63.4 111.183 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -66.44 -54.42 24.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 74.5 110.899 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 31.2 mt -55.42 -43.16 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.3 111.133 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -22.51 65.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 70.13 111.193 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.19 -18.39 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.871 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -19.72 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.25 110.864 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.75 -26.72 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 70.24 111.143 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -30.9 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.52 111.088 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -21.4 59.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.899 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.93 -44.08 32.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.55 111.154 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -76.06 -9.13 58.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 71.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -104.64 -24.84 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.03 110.824 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -51.96 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 74.43 110.894 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.882 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.776 0.322 . . . . 72.31 110.887 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.75 178.41 9.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.064 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -119.44 -73.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.869 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -141.13 -73.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.849 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 t60 62.64 99.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.906 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 55.68 -170.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.01 110.869 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -174.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -73.68 107.74 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 73.31 110.861 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.4 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.4 mmt -80.09 -44.58 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 62.55 110.906 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.17 -19.02 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 73.51 111.174 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -83.39 -28.56 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 64.52 111.139 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -83.92 -17.96 38.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.871 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -83.16 -42.96 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -56.19 -24.91 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 72.43 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -54.42 -43.95 71.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 74.1 110.907 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -63.58 -18.87 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.43 110.927 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.8 -39.77 50.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.891 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.12 -27.77 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.42 111.154 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -80.84 -18.95 45.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 73.02 110.881 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -70.11 -47.76 60.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 75.25 110.878 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -38.09 88.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.879 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 70.4 mt -51.7 -37.71 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 72.52 111.129 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.0 m -80.99 -24.98 37.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.933 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -59.0 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.909 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 tt -85.78 -20.0 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.34 111.132 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.82 -43.62 58.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 60.23 112.447 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.5 p -73.98 -37.3 64.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 64.4 111.139 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.87 -27.33 66.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 m -78.3 -29.66 47.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.887 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.06 -20.51 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 74.1 111.141 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.31 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 73.24 110.84 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.59 -22.9 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 71.35 111.111 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.52 -39.06 31.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 63.11 112.475 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.66 -22.83 23.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 74.41 110.896 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.71 -38.5 47.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 75.25 110.894 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -75.25 -41.04 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.52 111.126 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.25 -59.28 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 65.41 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -49.44 -31.02 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.898 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -61.89 -50.56 71.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.858 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -79.09 -58.04 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.958 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.48 53.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.856 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.76 -23.62 37.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 64.55 112.474 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.19 13.34 66.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 74.3 112.468 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.52 128.8 41.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 71.23 112.46 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.26 -114.04 3.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 70.32 112.467 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.72 175.19 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 70.14 112.469 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.44 -179.21 39.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 72.52 112.482 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.78 29.43 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 74.54 112.354 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.7 -24.99 38.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.935 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -68.12 -39.37 82.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.921 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -59.9 -38.83 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.844 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.93 -26.45 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.138 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -75.79 -31.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 74.3 111.115 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -24.68 22.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 t -85.96 -45.1 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.14 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mm -75.01 -22.56 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.5 111.089 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.472 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.2 mm-40 -51.82 -60.63 5.63 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 75.24 110.883 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.73 -25.81 28.37 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.25 . . . . 75.34 112.325 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.39 77.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.04 -60.3 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.907 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -25.46 42.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 63.45 110.873 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -24.88 33.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.864 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.2 m -55.16 -37.89 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 71.22 110.853 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.73 -22.07 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.927 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.0 mt -70.19 -47.85 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 75.2 110.918 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 t -65.28 -14.36 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.145 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.47 -13.7 32.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 75.22 112.527 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.01 -20.03 22.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 75.51 110.917 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 t -87.22 -31.9 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.33 111.148 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -93.71 1.03 56.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.859 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -104.7 -61.22 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 61.54 110.876 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.3 mt -154.81 71.43 5.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.708 . . . . 73.53 110.918 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.08 16.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 74.24 112.322 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.73 43.36 2.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 73.5 111.134 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.77 166.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 64.21 110.91 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -65.75 -14.49 61.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.08 43.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 71.05 112.491 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.29 -60.2 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 73.11 110.869 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -81.07 -19.95 42.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 74.52 110.943 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.0 mtt -69.01 -55.43 10.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 73.42 110.899 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.4 t -51.65 -31.69 26.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 73.1 111.118 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.8 -29.39 25.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.877 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -28.51 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.879 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -41.79 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 72.11 110.918 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -62.16 -17.94 59.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 75.02 110.881 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.0 t -69.12 -31.83 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 71.01 111.117 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.0 mt -86.03 -34.65 20.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 75.54 110.916 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.4 ttmt -75.94 -36.71 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 73.33 110.869 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.4 t -80.69 -20.03 43.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 64.44 110.867 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.1 tp -75.32 -48.69 21.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 65.32 110.899 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 t -53.44 -27.73 26.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 65.34 111.177 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.19 -32.27 62.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.93 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.62 -22.87 32.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 73.32 110.904 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.9 tp -82.62 -38.09 24.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.925 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -68.36 -32.91 73.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 74.55 110.918 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -11.98 61.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 74.43 110.856 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -23.54 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 72.42 111.1 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.58 -19.69 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 73.1 111.109 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.13 -19.93 31.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.913 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.6 -55.39 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 74.54 110.933 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.99 80.98 28.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 73.54 111.162 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -3.38 11.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 74.43 112.377 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.8 p -69.61 -35.49 75.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 71.42 110.831 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.7 -15.52 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 72.51 111.155 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.9 t -52.89 -24.02 8.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 72.31 110.887 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.17 -18.42 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.87 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.96 -14.23 56.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 71.1 111.127 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.54 -57.49 8.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 72.33 111.113 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.9 Cg_endo -69.81 -14.01 35.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.264 . . . . 74.02 112.291 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.41 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.932 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 8.7 tt -77.36 -22.02 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.02 111.1 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.82 -27.46 13.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 64.24 112.51 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -61.46 -34.44 75.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 72.02 110.858 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -85.43 -31.3 22.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 73.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 73.44 110.855 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.89 -24.97 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 63.4 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -52.43 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.902 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.5 m -69.35 -39.16 78.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 73.23 111.106 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -38.67 60.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.34 110.852 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.05 -16.98 36.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.49 -43.11 21.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 73.33 110.885 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.8 p -57.68 -22.98 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 64.33 111.171 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.53 -19.95 58.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.52 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -20.75 59.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 73.31 110.859 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -56.52 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 73.22 110.878 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 26.2 pt -63.26 -24.0 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 73.41 111.13 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -48.51 48.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 75.23 110.944 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.2 mt -67.78 -48.21 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 65.12 111.17 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 47.3 p -65.04 -22.51 66.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 75.04 111.145 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -18.36 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -84.75 -19.87 31.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 63.51 110.887 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.69 -25.6 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 73.32 111.096 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.84 -22.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.14 111.133 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -24.62 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.852 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -44.01 7.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 74.12 111.162 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -61.51 -28.74 69.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.905 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -77.98 -51.57 10.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.43 110.829 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.07 -74.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.864 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 65.32 110.862 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.79 0.329 . . . . 75.2 110.846 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.56 103.49 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 72.2 111.09 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -138.6 159.98 40.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.876 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -145.72 160.37 41.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 73.14 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -176.95 156.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 74.51 110.848 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -65.14 172.38 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.835 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 53.57 -170.07 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.53 110.83 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.24 106.12 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 74.23 110.83 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.05 -47.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 72.12 111.097 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -44.55 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 73.35 110.861 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.35 -18.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 71.32 111.133 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -83.41 -28.54 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.1 111.129 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.3 -20.5 29.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.882 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -84.02 -48.45 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 73.23 110.863 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.13 -24.95 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 73.24 111.142 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 tt -55.66 -36.91 67.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 74.45 110.925 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -18.96 65.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 74.34 110.902 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -39.69 49.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 54.42 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.02 -27.84 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.117 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -80.87 -18.94 45.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 74.02 110.941 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.33 -45.73 65.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 74.3 110.864 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 68.1 mt -51.84 -40.33 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 63.43 111.145 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.4 m -81.03 -20.96 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.898 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -67.56 -59.06 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 75.34 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.6 pt -86.02 -19.96 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 75.55 111.125 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.34 -18.16 73.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 72.02 112.483 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 p -91.99 -37.55 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 71.45 111.171 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -68.68 -18.03 64.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.859 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.13 -20.99 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.844 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.32 -20.95 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.68 -53.71 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.898 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.47 -24.77 21.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.54 111.083 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.46 -40.37 79.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 71.23 112.504 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -21.52 23.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 74.11 110.943 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -78.96 -36.11 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.934 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.57 -51.0 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.151 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -53.86 -58.53 6.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.872 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.42 -34.02 33.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 72.35 110.918 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -62.58 -42.83 99.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.01 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -77.76 -43.22 31.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.7 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.873 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.55 21.96 44.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 70.01 112.494 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.93 -172.82 21.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 74.14 112.484 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.18 -179.09 19.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.816 -0.707 . . . . 62.55 112.509 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.68 -101.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 71.31 112.503 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.17 152.7 6.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 44.23 112.508 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.95 -165.15 27.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 74.35 112.469 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -9.9 27.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.699 2.266 . . . . 74.21 112.362 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -73.86 -34.06 64.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.934 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -37.87 85.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.94 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -33.17 75.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 65.33 110.881 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -86.24 -29.02 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 74.1 111.117 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.2 t -80.88 -27.64 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 55' ' ' ASN . 1.5 m-80 -89.19 -24.11 22.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 74.32 110.898 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 p -90.05 -27.86 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.14 111.122 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 11.9 mm -90.79 -26.28 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.121 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mm-40 -52.36 -59.98 7.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 71.12 110.856 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.8 Cg_endo -69.78 -21.66 33.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.249 . . . . 61.12 112.359 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -33.28 75.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 72.04 110.884 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -54.54 -61.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.43 110.917 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -25.15 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.879 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.46 -24.47 36.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.876 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.63 -34.71 65.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 70.12 110.85 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.36 -21.0 62.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 63.43 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 29.6 mt -74.96 -47.57 28.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 72.14 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.2 t -65.19 -14.29 60.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.21 111.137 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.94 -13.65 33.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 65.14 112.42 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -21.37 21.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 74.22 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 t -86.68 -31.84 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 73.13 111.123 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -92.24 0.97 57.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.863 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -104.98 -64.16 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.928 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -151.8 71.62 8.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.664 0.745 . . . . 74.34 110.874 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.29 17.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 75.33 112.352 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.4 43.46 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 64.25 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.87 164.8 0.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 71.15 110.88 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -14.72 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 65.42 110.863 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.43 44.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 72.3 112.479 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.19 -59.52 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.966 0.412 . . . . 74.5 110.897 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -81.02 -19.98 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.53 110.901 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 mtt -71.15 -50.98 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.2 110.846 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 t -55.35 -28.19 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.24 111.145 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -88.01 -19.98 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 62.22 110.908 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.11 -21.01 31.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.853 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -82.64 -50.22 8.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 75.11 110.936 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.7 t -62.11 -17.97 59.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.907 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.93 -31.79 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 74.42 111.155 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.7 mt -81.99 -34.89 29.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 61.51 110.929 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.73 -35.67 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.888 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -80.72 -19.96 43.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.98 -47.93 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.922 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 t -53.95 -26.88 27.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 72.32 111.147 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.52 -27.15 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 72.1 110.877 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -28.8 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.933 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 39.0 tp -83.25 -48.58 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.931 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -57.63 -26.54 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.931 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -12.94 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.894 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.8 tp -52.0 -24.38 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 74.2 111.165 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.87 -19.46 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 71.03 111.156 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -85.32 -20.03 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.857 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.65 -55.47 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.928 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -138.05 81.47 26.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 74.34 111.089 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -3.44 12.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 63.3 112.375 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -35.38 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 69.8 p -90.6 -15.39 30.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.45 111.201 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.9 t -52.81 -23.96 7.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.461 . . . . 71.02 110.885 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.07 -18.42 34.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 73.55 110.853 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.87 -14.27 56.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.5 111.079 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.532 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.57 -57.49 8.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 74.51 111.154 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.4 Cg_endo -69.68 -14.12 35.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.715 2.277 . . . . 72.55 112.358 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.35 -61.3 1.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.918 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.4 tt -77.21 -22.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 75.44 111.103 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.18 -26.86 13.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 35.23 112.479 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.28 -31.83 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 75.44 110.864 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -85.37 -34.25 21.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 75.22 110.946 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 74.43 110.875 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -28.14 65.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 71.54 110.931 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -60.26 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.03 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.3 m -66.54 -39.95 88.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.145 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -56.12 -25.76 47.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 71.24 110.92 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.88 -22.49 27.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.816 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.15 -27.23 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.898 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.15 -24.92 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.109 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.13 -20.0 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.9 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -43.78 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 74.15 110.872 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -41.08 85.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 61.43 110.836 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.3 pt -77.26 -24.38 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.134 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -74.5 -44.25 52.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.881 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 38.0 mt -58.37 -45.0 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.44 111.141 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.9 -22.53 45.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.175 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.08 -18.55 47.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.869 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.09 -20.47 38.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.54 110.87 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.03 -20.0 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.4 111.191 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.03 -23.82 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.35 111.165 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.31 -33.58 43.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.89 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -39.16 18.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 63.52 111.132 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -60.62 -41.04 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 74.41 110.861 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -67.97 -49.09 63.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.38 -72.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 71.05 110.862 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 73.3 110.873 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.827 0.346 . . . . 74.23 110.881 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.63 118.22 22.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 72.23 111.057 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -106.11 -41.92 5.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 74.42 110.842 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -145.47 144.66 30.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -147.36 -58.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.53 110.818 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.26 169.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 72.14 110.836 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.02 -76.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.864 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 m170 63.52 105.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.824 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.34 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 51.11 111.11 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 16.3 mmt -80.43 -44.58 19.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -90.25 -18.96 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 71.34 111.163 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -83.45 -28.5 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.22 111.172 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -83.93 -20.51 32.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.889 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.44 -41.9 31.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.858 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 mm -56.1 -25.0 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 75.13 111.132 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.71 -42.54 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.914 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -61.51 -18.81 60.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.895 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 t -77.17 -39.04 50.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.857 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.09 -28.18 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 73.3 111.191 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.89 -18.95 45.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 73.51 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.11 -49.68 48.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -38.74 72.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 75.24 110.913 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.3 mt -51.73 -41.7 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.23 111.166 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.0 -21.01 40.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 54.11 110.892 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -59.02 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.862 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 tt -86.04 -19.99 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.1 111.12 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.41 -24.63 76.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 64.03 112.441 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -91.99 -31.54 15.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.286 . . . . 72.15 111.129 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -70.23 -17.96 63.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.901 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.77 -24.13 44.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 72.43 110.83 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -71.19 -20.92 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.44 111.111 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -87.69 -55.5 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 64.5 110.919 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.26 -26.29 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 73.43 111.074 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.42 -40.4 91.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 60.33 112.492 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.43 -21.86 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 75.4 110.851 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.69 -35.39 45.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.32 -50.41 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 71.45 111.176 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -55.83 -56.42 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 70.21 110.856 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mp -51.33 -36.65 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 63.13 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.56 -41.49 88.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.854 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.18 -40.51 67.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.936 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -179.53 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.861 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.15 16.66 49.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 35.03 112.527 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -101.49 -174.48 28.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.738 . . . . 63.43 112.454 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.08 163.05 10.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 75.51 112.494 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.83 -61.25 7.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 72.44 112.527 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.34 -171.88 48.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 61.41 112.477 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.27 -178.35 19.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 71.44 112.47 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -10.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 73.21 112.327 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.16 -27.16 39.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 71.21 110.899 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.92 -36.99 85.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.31 -52.03 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.886 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.23 -32.15 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 75.11 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -72.98 -36.49 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.14 111.095 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.04 -24.53 28.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.11 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.48 -45.14 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 74.23 111.118 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.4 mm -75.12 -22.7 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 73.12 111.104 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.3 mt-10 -51.41 -60.51 5.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 71.5 110.907 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.2 Cg_endo -69.79 -26.41 27.46 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.68 2.253 . . . . 74.11 112.354 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -32.71 74.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.878 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -53.04 -57.12 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.859 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -25.49 41.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.904 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.46 -24.88 31.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 64.43 110.882 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -39.27 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.868 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.87 -24.76 58.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 71.2 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.85 -34.31 76.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.31 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 m -62.65 -19.26 63.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.35 111.129 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.53 -13.84 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 70.21 112.477 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.7 tp -91.05 -9.12 46.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.846 0.355 . . . . 71.31 110.895 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.8 t -95.06 -31.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 73.3 111.086 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -98.07 1.17 47.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.918 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -123.09 -58.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.909 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.76 73.53 2.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.716 . . . . 72.04 110.929 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.17 17.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.7 2.267 . . . . 74.14 112.349 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 m -104.19 -15.81 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.119 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.96 -170.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 50.41 110.883 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.7 p -63.28 -16.52 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 70.32 110.839 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.85 37.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 70.13 112.469 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.89 -52.37 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 73.33 110.906 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -81.01 -20.02 42.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 75.1 110.89 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 17.1 mtt -78.62 -51.88 9.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.896 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 t -51.93 -29.6 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 65.51 111.089 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -85.83 -30.17 23.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 64.43 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -26.0 50.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.895 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.77 -37.68 29.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 71.44 110.883 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -17.98 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.897 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.9 -27.99 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.54 111.134 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.5 mt -86.03 -35.5 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.912 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -77.5 -35.68 53.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.9 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 56.7 m -80.74 -19.94 43.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.877 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.0 tp -73.09 -47.47 44.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 64.04 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.1 t -53.73 -27.4 28.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.179 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -31.01 61.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.878 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -23.06 32.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 74.25 110.882 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.5 tp -83.11 -39.97 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.947 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -66.51 -30.45 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 74.52 110.897 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -12.2 61.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.907 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 tp -51.73 -23.58 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 74.51 111.168 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.43 -19.88 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 63.55 111.115 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.75 -19.83 32.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.888 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.65 -55.33 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.929 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -137.94 80.94 28.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.626 0.726 . . . . 75.14 111.179 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -3.37 11.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.735 2.29 . . . . 70.12 112.331 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -35.43 75.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 65.51 110.885 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.5 p -90.77 -15.52 30.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.167 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.3 t -55.09 -22.17 15.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.14 110.848 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.14 -18.32 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 73.4 110.862 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.9 -14.26 56.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 74.33 111.094 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.522 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.61 -57.5 8.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.655 0.74 . . . . 75.34 111.13 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.81 -13.97 35.26 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.663 2.242 . . . . 74.43 112.332 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.41 -61.28 1.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 75.03 110.897 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.4 tt -77.18 -22.15 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 71.55 111.103 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.79 -27.47 13.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 70.03 112.501 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -61.62 -34.81 76.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.805 0.336 . . . . 74.23 110.942 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.37 -33.11 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.965 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -65.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 75.52 110.912 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.47 -25.01 61.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 75.31 110.874 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -59.57 5.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.863 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.0 p -64.87 -37.07 86.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.143 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.97 -39.92 63.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.5 110.863 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.33 -17.25 46.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.911 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.07 -50.64 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 72.03 110.888 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.81 -25.3 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 72.42 111.095 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -20.64 63.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.94 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -28.11 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 53.33 110.892 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.6 m -52.1 -36.34 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 72.12 110.83 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.94 -37.73 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 72.11 111.155 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -40.57 64.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.911 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.52 -55.89 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 65.13 111.196 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.44 -22.5 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.167 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.06 -18.61 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.15 110.862 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -20.18 35.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.32 110.891 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -74.89 -19.69 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 74.11 111.124 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -63.78 -22.94 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.112 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -52.18 -33.15 39.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 61.21 110.875 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.8 -41.29 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 75.4 111.105 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -29.68 66.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.35 110.86 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -72.26 -39.69 68.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.867 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -61.05 -74.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.874 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.853 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.782 0.325 . . . . 75.2 110.929 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.89 -61.59 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 75.33 111.113 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.5 m170 53.39 81.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.825 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -171.77 97.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 75.01 110.877 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -141.7 177.37 8.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 75.32 110.844 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -177.76 33.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 75.22 110.846 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.25 -169.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 72.34 110.853 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.9 m80 63.4 -177.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.874 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.52 -46.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 72.03 111.088 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -32.27 47.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.857 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.71 -19.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 75.43 111.089 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -28.61 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.106 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -63.76 -30.82 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.894 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -29.14 42.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 70.15 110.927 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 mm -56.11 -24.96 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.22 111.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.7 tp -55.39 -33.57 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.955 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -18.95 61.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 71.43 110.904 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.4 t -77.97 -38.13 45.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.896 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.04 -28.31 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.132 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.91 -18.97 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.892 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -72.65 -47.81 44.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.844 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -37.27 70.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 74.13 110.882 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.0 mt -51.75 -40.52 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.136 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.09 -20.95 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.85 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -69.87 -59.06 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.868 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tp -70.52 -20.02 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.22 111.094 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.02 -15.99 79.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 73.11 112.559 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.2 m -90.71 -21.02 21.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 74.2 111.108 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -84.09 -31.82 25.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 72.44 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -17.98 65.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 54.01 110.88 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.18 -20.48 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.121 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -86.8 -55.44 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 73.42 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.17 -22.45 28.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 73.02 111.082 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.74 -40.47 31.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.469 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 mmm-85 -88.67 -20.14 25.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 75.44 110.899 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -80.36 -38.16 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.67 -48.83 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 75.03 111.134 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.04 -59.17 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.882 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.61 -33.86 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.908 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t -59.49 -42.01 91.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.1 110.881 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -82.62 -44.34 15.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.868 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.85 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.875 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.23 11.78 59.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 74.22 112.473 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.49 -157.51 8.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.745 . . . . 73.02 112.459 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.34 110.14 2.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 65.44 112.524 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.21 -132.71 37.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.74 . . . . 72.3 112.452 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.21 158.94 3.03 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.696 -0.764 . . . . 62.23 112.47 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.92 -165.26 30.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 70.23 112.516 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -9.79 26.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.221 . . . . 73.31 112.358 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.04 -30.75 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.15 110.91 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.98 -34.27 66.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.96 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -39.6 93.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 64.15 110.887 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -26.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.34 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t -77.1 -31.43 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 75.1 111.095 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.24 -24.66 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 75.01 110.855 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -86.09 -45.34 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 63.24 111.135 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.5 mm -74.59 -22.65 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 73.01 111.105 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.9 mt-10 -52.01 -60.73 5.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.697 0.76 . . . . 72.25 110.87 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.1 Cg_endo -69.8 -24.87 29.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 73.33 112.337 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -31.18 71.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 62.23 110.945 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -60.89 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 65.41 110.89 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -55.9 -25.45 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 73.15 110.91 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.54 -24.68 33.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -37.24 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.835 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.03 -21.61 40.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.889 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.01 -36.01 74.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.894 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.4 m -62.63 -18.79 62.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 74.33 111.134 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.01 -13.85 35.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 62.42 112.446 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 tp -91.06 -8.79 47.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 74.53 110.89 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.7 t -95.07 -31.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 55.52 111.109 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -97.8 1.17 48.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 65.01 110.866 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -118.82 -60.35 1.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.906 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 mt -142.24 75.13 20.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 74.01 110.901 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.36 17.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 72.11 112.352 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.9 m -57.67 -22.6 46.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 74.41 111.15 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -176.16 -172.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.21 110.873 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.0 p -62.44 -17.22 58.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 70.42 110.861 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.77 29.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 73.21 112.46 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.61 -44.35 13.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 75.01 110.9 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.05 -33.43 33.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.912 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 17.4 mtt -69.46 -52.09 29.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.916 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 t -53.37 -28.88 31.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.145 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -79.32 -30.48 42.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.891 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -21.0 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.822 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -41.07 20.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.911 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -62.1 -17.98 59.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.884 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 58.2 t -65.39 -26.35 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 74.13 111.112 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.99 -34.55 20.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 75.35 110.926 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -77.43 -35.9 53.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 71.12 110.894 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.7 m -80.18 -19.92 45.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 63.42 110.873 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tp -73.18 -48.3 36.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 74.34 110.913 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -53.42 -27.47 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.45 111.168 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -30.42 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.25 110.858 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -23.18 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.904 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.0 tp -83.11 -51.89 7.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.958 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -57.74 -26.71 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.931 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -12.93 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 75.01 110.85 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.6 tp -51.94 -24.31 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 73.11 111.126 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.3 t -57.73 -19.71 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 73.41 111.137 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -84.88 -19.75 31.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 75.11 110.899 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.1 mp -103.85 -55.43 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 74.21 110.933 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.8 mp -138.03 81.36 27.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 73.15 111.138 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -3.55 12.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 74.41 112.308 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -35.54 75.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.882 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.71 -15.48 30.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 75.32 111.12 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.79 -24.04 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 71.04 110.835 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -59.14 -18.42 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 74.52 110.816 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.05 -14.16 56.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.33 111.115 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.535 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.51 -57.46 8.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 71.31 111.125 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.3 Cg_endo -69.73 -14.16 35.78 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.7 2.267 . . . . 73.21 112.363 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -61.36 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 72.23 110.914 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 9.7 tt -76.95 -21.99 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.23 111.126 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.99 -26.9 12.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.658 -0.782 . . . . 75.34 112.491 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.54 -32.88 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.342 . . . . 74.05 110.89 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -85.42 -32.54 22.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.852 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mtp -51.78 -65.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 75.41 110.88 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.12 -24.89 67.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 73.3 110.932 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.96 -62.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.22 110.858 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 16.9 p -67.32 -38.07 84.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 75.21 111.173 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -54.55 -27.86 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 74.43 110.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.09 -26.45 28.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 72.35 110.88 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -84.53 -26.34 28.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 73.35 110.855 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 94.2 t -56.09 -25.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 74.3 111.095 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -60.99 -24.68 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.3 t -53.43 -34.91 59.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 65.11 110.858 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.01 -51.16 59.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.88 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.98 -24.03 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 74.31 111.155 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -33.07 69.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 70.44 110.956 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.16 -57.41 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 74.12 111.139 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 1.3 p -58.0 -22.53 50.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.24 111.151 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.05 -18.47 46.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 65.13 110.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.59 -25.59 28.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -25.18 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 73.04 111.118 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.4 pp -68.49 -22.56 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 75.23 111.123 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -31.07 33.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 71.01 110.882 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -36.49 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 74.02 111.118 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -36.14 80.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 74.22 110.881 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -67.23 -50.45 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 75.14 110.868 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -54.77 -73.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.23 110.905 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 72.21 110.862 -179.838 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.703 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.786 0.327 . . . . 74.32 110.858 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.518 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.93 -47.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.44 111.103 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.1 -44.47 19.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.923 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.3 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.2 111.105 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.703 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.4 -28.54 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 64.1 111.148 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.79 -19.02 59.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 65.13 110.864 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -79.59 -36.83 37.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.865 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -56.05 -25.03 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 71.33 111.13 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -52.26 -52.23 53.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 72.01 110.913 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -61.4 -18.95 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.939 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -38.86 50.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.885 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.666 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -87.99 -28.1 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 70.3 111.124 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.586 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.86 -18.89 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 74.54 110.822 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -72.3 -57.91 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 71.14 110.905 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -39.43 71.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.87 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 20' ' ' PHE . 53.2 mt -51.98 -33.72 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 51.41 111.118 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.2 m -81.07 -29.02 35.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.838 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.51 -59.08 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 61.34 110.896 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 tt -86.08 -19.94 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.21 111.107 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.72 -43.53 18.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 65.45 112.45 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.3 m -73.62 -29.93 62.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 71.05 111.127 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.35 -30.98 70.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -18.67 63.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.859 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.67 -20.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 73.52 111.122 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.19 -59.18 2.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 60.33 110.863 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.82 -22.08 33.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 74.2 111.092 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.76 -38.94 26.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 61.31 112.447 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.53 -23.56 23.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 64.31 110.827 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.02 -38.91 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 64.54 110.939 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.998 HG23 HD13 ' A' ' 111' ' ' LEU . 1.3 mp -74.47 -41.4 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.04 111.114 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.11 -59.26 5.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.42 110.9 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.8 mm? -51.09 -33.15 24.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t -59.8 -41.25 90.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.896 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.536 ' OE1' ' HB2' ' A' ' 108' ' ' ALA . 3.5 mt-30 -84.17 -44.05 14.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 75.21 110.905 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.85 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.02 19.51 56.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 64.32 112.473 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.11 -105.43 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 45.55 112.538 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.84 -144.3 17.13 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 73.1 112.519 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.21 -27.8 24.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 72.24 112.502 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.9 -140.29 3.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 72.22 112.46 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.54 -165.11 24.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 63.35 112.441 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -9.7 26.72 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 75.42 112.329 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.27 -22.21 59.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 65.01 110.952 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -22.91 61.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 73.45 110.973 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.484 ' HD2' HG23 ' A' ' 53' ' ' VAL . 1.3 t80 -80.48 -35.5 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.01 110.835 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.484 HG23 ' HD2' ' A' ' 52' ' ' PHE . 54.6 t -88.21 -27.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.32 111.16 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 t -75.66 -34.07 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 64.11 111.148 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.491 ' OD1' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -86.07 -24.55 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 61.2 110.917 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.7 t -86.26 -42.15 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 74.4 111.082 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.9 mm -78.44 -23.66 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 64.34 111.101 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.532 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.5 tt0 -51.06 -58.53 10.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.671 0.748 . . . . 64.45 110.909 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.75 -29.93 23.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.267 . . . . 72.52 112.335 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.3 m -64.19 -37.24 86.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -58.78 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 64.12 110.917 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -25.69 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.33 110.94 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.463 ' HA ' HD12 ' A' ' 66' ' ' LEU . 2.2 t80 -83.28 -24.85 32.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 65.31 110.898 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -37.62 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 72.22 110.82 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -80.5 -22.22 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 65.24 110.922 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.695 HD13 ' OG ' ' A' ' 84' ' ' SER . 96.4 mt -71.7 -42.02 67.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 62.33 110.951 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 20' ' ' PHE . 12.4 m -62.45 -17.98 60.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.154 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.85 -12.74 42.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 63.13 112.457 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.794 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.9 tp -91.03 -8.41 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 70.4 110.864 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.648 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.6 t -95.1 -31.56 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 64.23 111.081 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.12 1.14 44.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.814 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -123.21 -57.72 1.67 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 70.31 110.917 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.0 tp -114.22 72.41 2.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 71.14 110.941 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 128.93 16.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 54.34 112.374 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.4 m -100.49 -15.79 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.54 111.159 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.12 -170.52 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 65.43 110.882 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -16.59 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.903 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.96 38.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.5 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.05 -68.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 64.42 110.902 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.794 ' HD2' HD23 ' A' ' 69' ' ' LEU . 8.2 mmtt -56.21 -25.15 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 62.2 110.913 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.648 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.5 mtt -78.57 -61.03 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 74.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -57.5 -25.83 60.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 44.21 111.132 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.18 -31.57 38.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.1 110.9 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.695 ' OG ' HD13 ' A' ' 66' ' ' LEU . 69.3 m -85.06 -26.39 27.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.2 110.856 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -35.05 79.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 75.5 110.907 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -17.93 59.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.877 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -80.42 -28.45 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 72.55 111.137 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.66 -36.78 79.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.921 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.469 ' O ' HG22 ' A' ' 92' ' ' THR . 2.2 mtpt -79.9 -33.76 39.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.44 110.891 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -81.12 -19.91 42.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 42.44 110.831 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.531 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.4 tp -70.12 -46.17 65.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.0 t -53.51 -27.17 24.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 72.35 111.177 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -27.0 37.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.903 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -27.98 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 74.22 110.898 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.491 HD13 ' OD1' ' A' ' 55' ' ' ASN . 14.8 tp -83.18 -39.52 20.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.903 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.405 ' O ' HG23 ' A' ' 99' ' ' VAL . 59.0 mttm -66.45 -30.43 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 72.52 110.876 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -12.21 61.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.921 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -51.78 -23.75 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.102 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.493 HG22 ' HB2' ' A' ' 106' ' ' SER . 40.4 t -57.53 -19.82 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 64.22 111.151 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.69 -19.96 31.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 65.05 110.842 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -103.59 -55.52 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.871 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.03 81.29 27.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.668 0.747 . . . . 53.03 111.156 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -3.97 13.05 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 74.45 112.398 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -35.7 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.876 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.3 p -90.91 -15.41 29.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.23 111.142 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.493 ' HB2' HG22 ' A' ' 99' ' ' VAL . 1.3 t -52.72 -24.36 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 73.33 110.829 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.15 -18.51 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 54.31 110.866 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.536 ' HB2' ' OE1' ' A' ' 41' ' ' GLN . . . -82.25 -14.02 56.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.069 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.535 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.32 -57.44 8.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 64.21 111.115 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.79 -14.39 35.92 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.27 . . . . 72.22 112.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.998 HD13 HG23 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -84.34 -61.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 62.3 110.942 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 108' ' ' ALA . 11.3 tt -76.6 -21.99 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 43.1 111.182 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.21 -27.02 14.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 53.4 112.471 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -60.96 -31.7 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.336 . . . . 60.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -85.2 -31.49 23.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 72.03 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 74.41 110.853 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -29.13 65.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 65.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -62.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.864 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.6 m -65.17 -36.46 84.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 70.42 111.111 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.556 ' O ' HG12 ' A' ' 123' ' ' VAL . 0.0 OUTLIER -54.62 -33.81 61.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 75.45 110.897 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.94 -17.31 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 64.32 110.915 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -86.0 -36.1 19.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 70.32 110.886 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 120' ' ' LYS . 13.0 p -57.73 -22.95 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 70.12 111.125 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -59.28 -21.63 59.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -30.0 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.04 110.855 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.8 p -52.12 -50.4 61.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 72.13 110.888 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 127' ' ' ILE . 2.8 mp -78.16 -24.01 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.25 111.157 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -51.02 63.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 75.51 110.902 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.666 HD12 HG23 ' A' ' 19' ' ' VAL . 28.6 mt -60.36 -49.64 83.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 73.51 111.115 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.466 HG21 ' HE3' ' A' ' 81' ' ' MET . 0.1 OUTLIER -58.47 -22.49 54.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 73.23 111.171 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.613 ' O ' HG22 ' A' ' 134' ' ' ILE . 0.3 OUTLIER -59.92 -18.73 47.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.932 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -84.75 -33.4 23.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 74.4 110.92 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.1 -21.46 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 75.35 111.146 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 131' ' ' GLU . 1.1 tt -52.8 -28.16 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.21 110.877 179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.724 ' HB3' HD13 ' A' ' 12' ' ' ILE . 1.3 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.802 0.334 . . . . 75.14 110.86 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.503 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.29 -47.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 74.21 111.094 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.6 mmt -80.24 -44.51 19.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 52.02 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.34 -18.95 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 73.31 111.121 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.724 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.48 -28.41 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 65.43 111.138 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -86.07 -19.67 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 52.35 110.816 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -82.43 -49.63 9.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.13 110.85 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.63 -25.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.117 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.601 HD13 ' CD1' ' A' ' 71' ' ' PHE . 4.6 tp -52.28 -52.03 55.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 53.45 110.932 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -61.79 -18.96 61.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 60.42 110.864 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.91 -38.22 46.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 65.34 110.846 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.886 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -87.97 -28.16 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.51 111.096 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.95 -18.91 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 73.45 110.871 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.49 -44.52 57.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.865 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -40.59 86.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 71.1 110.899 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 20' ' ' PHE . 23.0 mt -51.76 -36.74 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 42.43 111.126 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.449 ' O ' HG23 ' A' ' 28' ' ' THR . 1.6 m -81.0 -26.19 36.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.909 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -59.05 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.893 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.6 tt -81.9 -19.97 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.34 111.128 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.732 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -73.51 -46.95 23.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 70.33 112.53 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 24' ' ' CYS . 17.1 p -51.99 -42.2 62.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 62.35 111.149 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.97 -24.56 58.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 60.02 110.911 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.02 -20.43 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.808 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 27' ' ' GLY . 59.3 t -66.31 -20.56 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.072 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.61 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.34 -23.19 35.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.21 111.091 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -73.75 -40.73 44.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 75.04 112.479 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.488 ' O ' HD13 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.79 -22.35 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 62.32 110.87 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mp -78.19 -36.05 47.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.883 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.781 HG23 HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -72.82 -39.38 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 75.3 111.124 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -45.92 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 63.35 110.89 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 35' ' ' ARG . 1.7 mp -51.66 -45.17 63.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 75.31 110.946 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.68 -35.73 63.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.874 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 36.6 mm-40 -61.82 -36.44 81.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.855 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -179.56 -34.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.48 16.27 49.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 65.22 112.471 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.51 -62.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 53.42 112.516 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.6 -133.28 49.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 64.21 112.502 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.15 -80.13 1.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 53.41 112.476 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.39 -139.49 3.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 15.4 112.469 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.49 -179.16 42.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 75.43 112.45 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -10.82 29.48 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.662 2.241 . . . . 74.04 112.353 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.502 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.31 -21.93 42.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 65.35 110.918 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -32.08 49.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.971 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.496 ' HD2' HG13 ' A' ' 53' ' ' VAL . 12.1 t80 -63.62 -56.42 15.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 74.4 110.928 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.496 HG13 ' HD2' ' A' ' 52' ' ' PHE . 14.5 m -67.8 -31.92 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 51.43 111.139 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.79 -35.21 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 64.21 111.1 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -86.77 -24.61 25.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.839 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.6 t -85.56 -45.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 44.03 111.134 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.11 -22.65 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 62.21 111.144 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.43 -60.76 5.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 62.12 110.863 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.4 Cg_endo -69.74 -29.81 23.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.687 2.258 . . . . 62.04 112.33 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -28.37 68.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 71.01 110.937 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -57.16 -56.65 19.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -26.88 41.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 71.14 110.894 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.56 ' HB2' HG11 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -85.0 -25.03 27.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 71.2 110.869 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.2 m -56.04 -41.29 74.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 72.11 110.86 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -57.03 -28.6 62.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 53.12 110.879 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.732 HD13 ' HA ' ' A' ' 84' ' ' SER . 19.9 mt -71.09 -40.64 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 60.14 110.925 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -62.48 -20.02 64.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 64.42 111.153 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.55 -13.83 36.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 62.13 112.426 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.4 tp -91.09 -7.88 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 72.32 110.952 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.4 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.07 -31.63 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 72.21 111.111 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.601 ' CD1' HD13 ' A' ' 16' ' ' LEU . 55.2 m-85 -98.76 1.14 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 72.24 110.84 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -118.54 -59.47 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.941 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 tp -142.94 75.13 17.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 72.13 110.951 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 129.28 17.38 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.692 2.261 . . . . 74.45 112.365 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -58.67 -21.38 54.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 72.11 111.14 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -176.55 -172.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.858 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.437 ' HB2' HG22 ' A' ' 134' ' ' ILE . 0.3 OUTLIER -62.35 -17.31 58.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 63.43 110.875 -179.788 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.92 29.91 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 65.13 112.494 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -84.75 -45.98 11.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.93 0.395 . . . . 73.21 110.882 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.681 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -78.06 -33.7 50.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 55.43 110.891 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.523 ' SD ' HG22 ' A' ' 127' ' ' ILE . 21.8 mtt -68.93 -55.42 11.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.849 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 t -52.59 -28.73 22.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 70.22 111.158 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.65 ' O ' HG23 ' A' ' 87' ' ' VAL . 29.4 mm-40 -78.29 -33.31 49.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 75.54 110.927 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.732 ' HA ' HD13 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -81.43 -26.08 35.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.51 110.824 -179.8 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -67.69 -49.07 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -62.2 -18.05 59.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.43 110.826 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 83' ' ' GLU . 84.3 t -75.16 -22.89 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 70.41 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.764 HD13 HG11 ' A' ' 123' ' ' VAL . 39.6 mt -69.88 -34.82 74.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.882 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -27.35 28.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 71.43 110.895 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.88 -19.89 28.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 61.42 110.848 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -71.87 -42.79 66.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 72.5 110.912 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 t -57.01 -23.66 47.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 65.24 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -37.64 50.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.855 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -34.15 76.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.87 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.44 -36.26 24.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 75.54 110.879 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -67.93 -32.52 73.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 70.41 110.897 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -12.35 61.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 75.14 110.905 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -23.78 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.138 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.59 -19.57 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 72.23 111.158 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.2 -20.04 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.843 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.646 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.63 -55.52 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 61.4 110.896 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.646 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.02 81.24 27.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 72.43 111.18 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.66 12.46 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.664 2.243 . . . . 71.14 112.38 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -35.52 74.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 53.52 110.868 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.6 p -90.78 -15.46 30.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.125 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.7 t -52.74 -24.17 8.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.32 110.886 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -59.27 -18.37 36.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 64.34 110.828 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.636 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -82.09 -14.08 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 60.44 111.09 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.46 8.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.648 0.737 . . . . 60.12 111.118 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.78 -14.27 35.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 74.32 112.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.781 HD13 HG23 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -84.37 -61.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.875 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' ' 34' ' ' GLY . 8.4 tt -76.65 -22.03 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.165 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.74 -27.49 13.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 61.13 112.474 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -61.84 -34.96 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 75.4 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -85.35 -29.03 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 64.1 110.941 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -65.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.875 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -28.52 64.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.872 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -43.34 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 73.41 110.902 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.9 m -80.35 -36.79 33.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 74.01 111.156 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.556 ' O ' HG12 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -56.6 -28.69 60.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.853 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.04 -16.94 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.912 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -85.98 -36.82 19.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 74.13 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 88' ' ' LEU . 13.5 p -56.32 -24.54 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 73.44 111.152 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.24 -21.64 59.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.901 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.1 m -58.95 -22.34 59.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 75.33 110.853 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.9 m -64.09 -56.56 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.33 110.824 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.523 HG22 ' SD ' ' A' ' 81' ' ' MET . 24.7 pt -66.25 -28.88 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 72.22 111.11 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -64.08 -46.05 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.894 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.886 HD12 HG23 ' A' ' 19' ' ' VAL . 20.3 mt -71.62 -54.47 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 72.44 111.14 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.551 ' O ' HG12 ' A' ' 133' ' ' VAL . 7.1 p -58.03 -22.53 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.22 111.133 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -18.61 47.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.85 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -82.85 -20.0 36.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.923 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -75.34 -20.22 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 64.44 111.124 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.437 HG22 ' HB2' ' A' ' 77' ' ' SER . 1.7 pp -57.32 -23.58 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.35 111.116 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 62.51 110.907 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.667 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.801 0.334 . . . . 65.4 110.844 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.92 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 75.54 111.044 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.3 mmt -80.23 -44.57 19.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.876 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.31 -18.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 65.43 111.084 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.46 -28.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 70.33 111.096 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.7 -19.69 30.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 63.35 110.857 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.77 -41.31 19.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.86 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.477 HG21 HG21 ' A' ' 129' ' ' ILE . 3.5 mm -53.56 -27.89 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.3 111.179 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -54.81 -41.82 71.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 63.02 110.895 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -65.69 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.886 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -40.15 47.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 72.02 110.84 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -88.06 -27.69 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 53.14 111.159 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.658 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.6 t80 -80.9 -18.94 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.882 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.33 -50.42 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 75.44 110.868 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -35.74 80.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 63.22 110.883 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 20' ' ' PHE . 48.3 mt -52.18 -35.88 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.173 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.99 -25.93 36.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 64.34 110.855 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -77.56 -59.04 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.927 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -20.0 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.14 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -82.79 -29.69 34.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 63.15 112.497 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -92.0 -21.01 20.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 62.44 111.168 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.42 -46.6 31.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 70.22 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -61.23 -23.36 65.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.5 t -68.01 -20.49 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 64.44 111.161 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -86.2 -59.19 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.863 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.87 -22.15 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.02 111.088 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.707 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -77.65 -39.02 26.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 72.01 112.492 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.427 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.43 -23.54 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 73.44 110.868 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.03 -39.01 51.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 61.1 110.898 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.42 -40.55 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 72.31 111.148 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.04 -59.35 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.851 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.8 mm? -51.28 -33.42 28.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.927 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -56.25 -42.16 76.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 52.24 110.857 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.667 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 17.2 mt-30 -78.89 -43.19 25.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 52.13 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.65 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.896 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.19 27.65 24.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 64.23 112.474 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.92 -171.06 12.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 70.54 112.489 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.74 154.14 30.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 75.3 112.532 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 51.98 -136.15 34.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 61.04 112.497 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.38 -156.73 0.19 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 73.44 112.469 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.76 -179.54 19.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 54.13 112.496 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -10.73 29.34 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.642 2.228 . . . . 74.42 112.366 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.517 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.63 -25.9 41.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 71.24 110.971 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.625 ' HE2' HD12 ' A' ' 98' ' ' ILE . 1.4 t80 -69.77 -37.18 76.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 75.45 110.858 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.404 ' HD1' HD21 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -69.09 -31.02 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 74.0 110.871 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.517 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.8 t -88.13 -28.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 43.11 111.125 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 50' ' ' LEU . 19.6 t -80.82 -29.26 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.41 111.141 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.53 -24.69 23.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.911 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.587 ' HA ' HD11 ' A' ' 91' ' ' LEU . 4.9 p -89.11 -27.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 51.31 111.153 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.14 -26.1 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 70.24 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mt-10 -51.31 -60.13 6.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.604 0.716 . . . . 71.44 110.865 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.721 ' HG2' HD13 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.79 -33.65 16.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 72.23 112.345 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -63.29 -31.01 72.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -57.45 11.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.8 40.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 62.12 110.879 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -24.86 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 70.11 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -37.18 73.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 72.33 110.816 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.57 -22.07 54.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.25 110.907 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.1 mt -69.17 -34.55 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 71.43 110.899 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.0 m -62.57 -19.49 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 73.44 111.193 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.19 -14.31 33.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 50.04 112.524 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.7 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.4 tp -91.09 -8.59 48.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 75.22 110.91 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.421 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.08 -31.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.4 111.148 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.532 ' HB2' HD12 ' A' ' 16' ' ' LEU . 48.6 m-85 -97.89 1.19 47.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 72.3 110.89 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -118.74 -60.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 73.13 110.89 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.1 tp -142.66 74.93 18.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 71.22 110.871 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 129.34 17.49 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.258 . . . . 73.13 112.361 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.2 m -57.44 -22.95 46.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 62.31 111.123 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -176.16 -172.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 74.44 110.861 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.8 p -62.33 -17.3 58.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.0 110.913 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.24 30.13 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 62.41 112.431 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.47 -43.93 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 52.31 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.7 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -81.05 -33.9 33.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 54.41 110.878 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.421 ' HG2' HG21 ' A' ' 70' ' ' VAL . 11.3 mtt -69.39 -52.08 30.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.875 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -53.21 -28.84 28.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 42.54 111.118 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.6 tt0 -77.3 -32.15 55.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.908 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -21.04 29.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 64.23 110.885 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -73.95 -47.6 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 75.44 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -62.14 -17.97 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 65.41 110.838 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 83' ' ' GLU . 93.4 t -72.12 -22.97 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 63.13 111.124 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 123' ' ' VAL . 37.6 mt -83.71 -37.09 23.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.906 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 92' ' ' THR . 0.5 OUTLIER -79.92 -34.13 39.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 64.33 110.914 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.6 p -80.39 -19.97 45.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.871 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.721 HD13 ' HG2' ' A' ' 59' ' ' PRO . 1.5 tp -69.19 -45.58 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.936 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.0 t -53.46 -27.28 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.152 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -26.92 35.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 62.43 110.897 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -27.95 29.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.03 110.938 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.404 HD21 ' HD1' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -83.2 -33.45 26.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.906 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -64.05 -24.31 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.885 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -12.12 60.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 61.2 110.898 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.625 HD12 ' HE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -51.44 -23.89 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 75.52 111.106 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.37 -19.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.2 111.099 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.98 -20.35 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 55.14 110.879 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.633 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.63 -55.44 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 71.14 110.941 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.9 mp -137.92 82.01 26.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 75.21 111.142 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -3.27 11.68 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 64.22 112.321 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -11.58 60.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.894 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.7 p -79.95 -14.12 58.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 64.21 111.155 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -49.37 -26.66 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 65.24 110.842 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -43.4 70.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.878 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.667 ' HB2' ' CD ' ' A' ' 41' ' ' GLN . . . -85.37 -15.08 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 60.34 111.154 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.6 -56.99 9.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 74.15 111.131 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.8 -14.21 35.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 71.33 112.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -43.58 14.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 70.4 110.909 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.707 HD12 ' HA2' ' A' ' 34' ' ' GLY . 12.4 tt -89.06 -22.12 6.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.35 111.135 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.92 -27.23 12.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 55.41 112.467 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -61.2 -33.96 74.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 52.4 110.872 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -85.34 -35.63 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.958 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 71.53 110.879 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.35 -25.01 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.896 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -42.4 88.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.858 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 93.7 m -66.23 -50.2 64.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 42.51 111.143 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 123' ' ' VAL . 3.8 mptp? -56.53 -34.24 66.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.908 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.99 -17.04 36.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -85.97 -38.43 17.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 44.45 110.899 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 88' ' ' LEU . 7.7 p -57.65 -23.11 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 64.45 111.117 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -59.14 -21.69 59.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.891 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 m -60.25 -38.39 83.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 64.51 110.844 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.515 ' HA ' HG21 ' A' ' 19' ' ' VAL . 58.8 m -52.08 -35.96 49.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.834 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.9 mp -84.08 -34.57 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 60.12 111.12 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -51.35 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 61.34 110.897 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.477 HG21 HG21 ' A' ' 15' ' ' ILE . 95.3 mt -60.11 -54.17 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 55.24 111.121 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -22.56 59.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 73.23 111.142 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -60.16 -18.46 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -84.71 -19.87 32.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.903 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.556 HG21 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.56 -25.72 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 62.21 111.123 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.77 -22.89 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 72.31 111.127 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.0 t30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.25 110.884 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.685 ' HB3' HD13 ' A' ' 12' ' ' ILE . 6.5 m80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 72.43 110.831 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -173.13 -47.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 70.01 111.125 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.38 -44.51 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.01 110.853 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.29 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 72.15 111.158 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.43 -28.54 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 51.43 111.108 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.77 -18.44 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.879 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.68 -39.29 31.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.9 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.92 -25.01 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.102 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -50.31 63.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 75.21 110.904 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -61.67 -18.92 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.882 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -38.44 47.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 63.11 110.861 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.997 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.08 -28.24 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 54.05 111.116 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.654 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.93 -18.89 45.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 75.41 110.871 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -71.89 -58.06 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.838 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -42.81 67.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.891 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 20' ' ' PHE . 68.4 mt -51.78 -35.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.44 111.117 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.418 ' O ' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -81.03 -27.22 35.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 63.44 110.832 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -66.12 -58.95 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tp -82.53 -19.92 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 64.12 111.097 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.476 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -76.2 -15.99 81.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 51.42 112.494 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 24' ' ' CYS . 2.7 p -86.47 -32.8 20.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 71.51 111.173 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -71.47 -39.99 70.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 53.41 110.869 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.2 t -60.13 -27.52 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.821 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 27' ' ' GLY . 12.3 t -66.59 -20.49 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 63.23 111.165 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -86.79 -55.7 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.45 110.829 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.14 -22.59 29.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 72.14 111.078 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.48 -40.67 32.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 63.12 112.449 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.485 ' O ' HD23 ' A' ' 39' ' ' LEU . 7.3 mmm180 -88.54 -20.35 25.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 72.2 110.876 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.11 -38.08 32.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.918 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.431 HG12 HD12 ' A' ' 111' ' ' LEU . 1.2 mp -73.67 -50.01 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 63.23 111.171 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.79 -59.15 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.883 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.43 -33.87 32.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 64.1 110.929 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -69.0 -43.44 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 55.12 110.84 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.43 -42.39 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 61.4 110.93 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -179.63 -34.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.59 16.69 61.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 43.54 112.49 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -128.59 -179.2 15.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 40.53 112.476 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.06 114.37 1.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 60.44 112.526 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.22 -120.78 11.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 43.44 112.481 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.29 -152.99 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.724 . . . . 53.54 112.517 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.14 -164.89 23.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 72.13 112.457 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.66 26.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.659 2.239 . . . . 74.34 112.353 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.3 -25.99 59.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -25.68 68.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 53.42 110.933 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -76.74 -53.67 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 75.03 110.849 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.2 m -68.05 -32.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.105 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 t -71.91 -39.22 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 62.21 111.157 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -82.33 -24.72 34.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 t -84.97 -45.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 72.42 111.108 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.6 mm -74.96 -22.63 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.101 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.0 mt-10 -50.91 -60.66 5.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 61.04 110.883 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.707 ' CG ' HD22 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.74 -33.07 17.39 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 63.23 112.335 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.58 -30.69 71.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.846 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -56.99 -59.34 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -25.73 41.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 65.15 110.958 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -24.9 31.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 63.3 110.854 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -36.55 74.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 75.44 110.845 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.38 -21.01 53.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.907 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.3 mt -71.28 -35.43 71.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 65.02 110.909 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 m -62.39 -20.87 64.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.45 111.147 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.58 -12.9 42.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 60.12 112.491 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' A' ' 80' ' ' LYS . 12.1 tp -91.09 -10.33 42.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 70.14 110.914 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.656 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.6 t -95.11 -31.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.125 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -97.32 1.09 49.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.903 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -123.52 -58.02 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 71.01 110.908 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.57 HD12 HD11 ' A' ' 69' ' ' LEU . 74.3 mt -113.67 73.87 2.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.722 . . . . 63.23 110.882 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.0 16.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 70.14 112.349 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.3 p -109.58 -13.16 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.121 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -177.33 -179.12 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.881 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 p -59.54 -21.04 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 62.14 110.834 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.52 40.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 74.22 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.507 ' O ' HG22 ' A' ' 82' ' ' THR . 1.8 mm-40 -72.29 -48.19 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 64.11 110.869 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.771 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -81.14 -19.87 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 44.52 110.912 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.656 ' HG2' HG21 ' A' ' 70' ' ' VAL . 15.0 mtt -78.35 -41.34 33.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.906 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.3 t -56.16 -26.07 49.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 51.15 111.135 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.671 ' O ' HG23 ' A' ' 87' ' ' VAL . 45.4 mm-40 -88.03 -19.97 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.919 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 m -77.11 -27.68 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 62.45 110.847 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -85.06 -37.04 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.917 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -62.19 -18.03 59.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.847 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 83' ' ' GLU . 66.1 t -71.45 -29.89 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.42 111.122 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.8 mt -86.0 -34.26 20.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 72.53 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.479 ' O ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -77.72 -35.57 51.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.904 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.9 t -81.03 -19.98 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 64.15 110.884 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.707 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.1 tp -73.52 -47.71 38.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 64.45 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.1 t -53.47 -27.69 26.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 61.23 111.138 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -37.84 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.5 110.916 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -83.64 -22.9 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 61.53 110.932 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.0 tp -77.12 -38.85 51.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 64.53 110.933 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -68.3 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.861 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -11.96 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.864 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -23.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 62.14 111.094 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.4 p -57.42 -19.83 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 72.41 111.152 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -19.87 31.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 52.51 110.936 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.636 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.58 -55.41 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.95 80.97 28.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 55.21 111.14 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -3.58 12.31 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.283 . . . . 65.43 112.297 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -35.62 75.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 72.45 110.862 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.85 -15.61 29.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 73.12 111.096 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -24.2 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 64.43 110.849 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -59.2 -18.42 36.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 54.12 110.851 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.06 -14.2 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 71.12 111.078 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.546 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.45 -57.52 8.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.633 0.73 . . . . 74.01 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.74 -14.22 35.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.623 2.215 . . . . 74.13 112.381 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.431 HD12 HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -84.3 -61.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 61.34 110.953 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 108' ' ' ALA . 12.9 tt -76.99 -21.91 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 72.23 111.154 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.99 -27.15 12.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 74.3 112.493 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -61.07 -33.47 73.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 72.33 110.879 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -85.34 -30.74 23.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.894 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 71.2 110.842 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -24.93 68.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 75.3 110.898 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -62.01 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 64.02 110.875 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 123' ' ' VAL . 76.7 p -65.28 -36.03 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 63.33 111.138 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -35.39 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 43.51 110.914 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 -21.17 41.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -85.97 -27.25 25.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.943 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 119' ' ' THR . 94.7 t -55.02 -26.23 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 73.43 111.121 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.551 ' HG2' HD11 ' A' ' 127' ' ' ILE . 1.4 mt-10 -60.6 -19.96 59.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 43.13 110.896 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 m -52.05 -31.51 30.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.859 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -53.39 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 73.01 110.829 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.551 HD11 ' HG2' ' A' ' 124' ' ' GLU . 33.0 pt -75.86 -28.57 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 70.54 111.109 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -66.75 -43.61 83.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.35 110.875 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.997 HD12 HG23 ' A' ' 19' ' ' VAL . 20.1 mt -69.54 -57.34 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 70.24 111.137 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.548 ' O ' HG12 ' A' ' 133' ' ' VAL . 8.9 p -58.05 -22.48 50.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.123 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -18.59 48.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 64.51 110.896 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -82.58 -21.13 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.65 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -74.4 -19.02 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 75.53 111.188 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -61.15 -23.3 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.24 111.153 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 65.54 110.898 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.689 ' HB3' HD13 ' A' ' 12' ' ' ILE . 59.0 m-70 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.849 0.357 . . . . 73.12 110.838 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.59 -47.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 62.44 111.097 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.8 mmt -80.22 -44.53 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 70.21 110.88 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.29 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 52.33 111.13 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.41 -28.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.45 111.127 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.77 -19.55 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.841 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -83.96 -41.48 17.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 65.21 110.808 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -53.12 -28.39 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 62.51 111.174 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 17' ' ' LYS . 1.1 tt -51.96 -48.6 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.921 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' N ' HD23 ' A' ' 16' ' ' LEU . 7.8 mttm -60.66 -29.29 69.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.899 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -38.6 90.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 65.14 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.54 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.11 -28.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 65.12 111.167 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.692 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.9 -18.95 45.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.55 110.876 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -73.17 -57.62 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.1 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -51.51 -41.1 60.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 20' ' ' PHE . 66.5 mt -54.22 -34.77 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 62.31 111.123 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 t -81.02 -20.99 40.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.875 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -58.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -83.61 -20.05 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.138 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.03 -26.18 71.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 61.11 112.464 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.6 m -91.93 -36.44 13.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.741 0.305 . . . . 61.45 111.146 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.53 -35.51 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 62.24 110.908 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.8 t -65.94 -17.99 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 62.4 110.852 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.57 -20.54 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.23 111.157 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.79 -55.53 3.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.898 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -22.64 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.088 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.681 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -75.64 -40.61 31.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 34.21 112.463 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.478 ' O ' HD23 ' A' ' 39' ' ' LEU . 7.3 mmm180 -88.53 -20.03 25.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 70.31 110.862 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.53 -38.17 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.947 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.69 -47.4 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.41 111.123 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -57.54 -59.25 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 70.21 110.928 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.67 -33.7 34.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 64.15 110.949 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -39.87 86.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 63.01 110.869 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.88 -41.92 15.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 63.13 110.883 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.4 -45.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.91 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.0 27.93 23.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.759 . . . . 74.54 112.526 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.68 175.96 37.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 73.01 112.455 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.584 ' HA3' HG21 ' A' ' 102' ' ' ILE . . . 134.29 156.5 7.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 70.43 112.505 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.2 -62.19 5.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 34.24 112.477 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.39 147.19 47.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 65.53 112.464 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.38 -179.58 50.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 34.14 112.47 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -10.89 29.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 61.25 112.349 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.49 -26.64 41.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 63.24 110.867 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.03 -38.28 90.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 71.33 110.947 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -30.46 71.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.34 110.865 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.541 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.3 t -88.71 -27.96 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 73.44 111.111 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.2 t -80.9 -28.41 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 50.25 111.155 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.8 -24.68 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.34 110.905 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -88.98 -28.09 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 75.31 111.129 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.3 mm -91.24 -25.94 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.153 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.31 -60.18 6.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 72.05 110.908 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.724 ' HG3' HD13 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.74 -33.83 15.86 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.695 2.263 . . . . 74.24 112.333 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.4 -30.32 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.883 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -56.57 -60.46 3.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -25.56 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 75.33 110.863 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -24.78 33.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.859 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -36.04 81.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 60.3 110.875 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.26 -21.17 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 62.21 110.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.39 -31.22 71.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.917 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 m -62.61 -21.16 65.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 42.45 111.136 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.46 -13.25 42.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 53.01 112.484 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.821 HD23 ' HD2' ' A' ' 80' ' ' LYS . 12.3 tp -91.08 -9.59 45.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 72.11 110.937 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.713 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.04 -31.68 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.138 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -97.86 1.15 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -123.08 -58.85 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.905 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 tp -113.62 74.03 2.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 75.54 110.891 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.08 16.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 72.54 112.33 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.1 p -108.94 -13.8 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.32 111.121 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -177.18 -179.31 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 74.24 110.837 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -59.6 -20.96 59.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 53.01 110.885 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -175.34 35.59 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 31.43 112.46 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.97 -47.04 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.931 0.396 . . . . 74.31 110.906 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.821 ' HD2' HD23 ' A' ' 69' ' ' LEU . 6.2 mmtp -81.02 -23.96 38.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.881 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.713 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.7 mtt -78.93 -48.85 13.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 62.44 110.875 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 t -55.27 -28.43 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 44.21 111.147 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.4 mm-40 -88.06 -19.95 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.97 -24.26 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.872 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -85.04 -36.96 20.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 62.43 110.863 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.1 t -62.15 -17.96 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 54.21 110.869 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' GLU . 15.8 t -72.14 -25.57 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 73.34 111.08 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.701 HD12 HG21 ' A' ' 123' ' ' VAL . 68.5 mt -85.97 -32.16 21.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.926 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -80.11 -33.94 38.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.88 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.4 t -81.05 -19.93 42.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 75.13 110.868 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.724 HD13 ' HG3' ' A' ' 59' ' ' PRO . 2.0 tp -71.77 -46.68 57.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 40.42 110.892 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.0 t -53.63 -27.38 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.163 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -30.35 59.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.891 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -23.01 32.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 71.53 110.901 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -32.44 30.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.907 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -68.79 -33.88 74.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 64.5 110.902 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -12.06 61.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.856 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 tp -51.83 -23.35 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.31 -19.83 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.31 111.093 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -20.08 31.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 60.32 110.866 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.64 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.64 -55.01 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.89 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.64 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.9 mp -137.79 81.0 29.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.74 . . . . 72.32 111.122 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -2.19 9.76 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 74.45 112.348 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 t -68.83 -12.21 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 61.24 110.859 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.4 p -90.16 -14.18 34.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 62.22 111.167 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.3 m -49.58 -26.36 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 73.52 110.877 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 m -70.1 -43.35 71.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 63.22 110.845 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -85.5 -15.09 43.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.54 111.126 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.74 -57.03 9.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 61.32 111.172 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.78 -13.63 34.89 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 42.23 112.371 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.22 -44.58 13.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.928 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.681 HD12 ' HA2' ' A' ' 34' ' ' GLY . 14.7 tt -89.09 -22.09 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 72.05 111.098 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.82 12.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 74.12 112.486 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -59.76 -31.09 69.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 75.13 110.897 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -85.42 -30.22 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.35 110.961 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -65.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 64.32 110.839 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.7 -28.26 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 71.22 110.942 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -59.84 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.871 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 123' ' ' VAL . 2.9 m -63.42 -38.28 90.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.187 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -23.07 67.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 61.1 110.881 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -84.74 -35.13 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.873 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.14 -21.62 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.926 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.701 HG21 HD12 ' A' ' 88' ' ' LEU . 88.8 t -60.14 -25.11 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 74.44 111.12 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.46 -25.65 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.906 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -33.73 70.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 72.15 110.823 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.54 ' HA ' HG21 ' A' ' 19' ' ' VAL . 3.6 m -59.47 -40.42 86.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.872 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.97 -32.08 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 74.21 111.104 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -42.94 99.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 72.44 110.869 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.523 HD12 HG23 ' A' ' 19' ' ' VAL . 59.6 mt -66.32 -43.52 91.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 51.1 111.127 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -22.57 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 75.41 111.168 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.2 -18.4 48.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 62.41 110.876 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -84.66 -19.9 32.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.558 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.48 -25.56 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 71.51 111.135 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.3 tp -78.17 -22.81 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 75.22 111.143 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.906 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.697 ' HB3' HD13 ' A' ' 12' ' ' ILE . 27.8 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.843 0.354 . . . . 75.55 110.874 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.77 -47.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.11 111.097 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.23 -44.57 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.27 -18.95 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 75.22 111.143 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.697 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.41 -28.49 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 71.33 111.128 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -85.81 -26.33 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.861 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -48.44 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.839 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.14 -24.97 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.143 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.2 tp -53.7 -47.16 70.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 71.02 110.895 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -18.85 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.875 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -38.87 49.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 61.51 110.864 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.697 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.07 -28.23 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 63.33 111.141 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.86 -18.94 45.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.905 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -70.75 -57.0 5.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 62.3 110.891 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -46.06 64.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 62.44 110.903 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 20' ' ' PHE . 47.5 mt -51.91 -38.14 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.13 111.151 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -23.91 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 72.43 110.884 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -59.04 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.537 HD11 HG23 ' A' ' 119' ' ' THR . 1.7 pt -85.98 -20.07 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 52.53 111.101 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.32 -34.52 89.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 64.44 112.47 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 t -92.02 -29.09 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 74.24 111.133 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.63 -17.98 64.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 t -80.52 -17.96 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 63.1 110.86 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.75 -20.48 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.117 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.15 -59.26 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.884 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.74 -22.4 35.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 73.05 111.154 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.17 -39.42 27.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 35.23 112.445 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.445 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.15 -23.84 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 72.11 110.849 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -76.28 -39.35 54.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.985 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.504 HG23 ' HG ' ' A' ' 111' ' ' LEU . 1.4 mp -75.47 -40.85 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.23 111.179 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -62.77 -59.09 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.25 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.5 mm? -50.41 -33.03 19.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.928 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -41.07 97.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 71.24 110.882 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -41.49 30.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -179.52 -34.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.883 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.96 22.21 40.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 42.21 112.476 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.15 -142.54 5.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 64.24 112.489 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.54 106.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 71.1 112.48 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.14 -134.22 36.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 64.05 112.465 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.24 172.18 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 65.4 112.513 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.03 -164.94 25.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 45.32 112.51 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -9.84 27.07 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.683 2.255 . . . . 74.11 112.353 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.16 -29.39 61.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.47 ' OH ' HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -73.13 -34.43 66.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.923 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.13 -39.96 91.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.52 -26.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 72.13 111.102 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.28 -31.75 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 42.34 111.129 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.25 -24.64 22.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 t -85.99 -45.24 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.45 111.152 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mm -74.77 -22.63 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.05 111.102 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mm-40 -51.96 -60.63 5.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 72.24 110.898 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.701 ' HG3' HD13 ' A' ' 91' ' ' LEU . 54.1 Cg_endo -69.78 -25.17 28.8 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 55.2 112.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -30.87 71.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 50.52 110.882 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -59.42 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 71.21 110.919 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.38 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.403 ' HE1' ' HG ' ' A' ' 84' ' ' SER . 0.2 OUTLIER -83.67 -24.78 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.852 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.5 m -53.05 -38.17 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 73.5 110.853 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.62 -23.13 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 71.31 110.89 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.6 mt -69.0 -33.7 74.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 72.03 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -62.67 -20.11 64.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.43 111.148 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.01 -13.62 39.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 63.44 112.488 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.762 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.3 tp -91.05 -8.62 48.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 50.41 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.07 -31.88 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.03 111.112 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -97.83 1.06 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.889 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -118.77 -60.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 54.44 110.962 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.1 mt -141.64 74.78 22.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 65.12 110.904 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 129.43 17.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 74.01 112.329 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.7 m -58.31 -21.78 50.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.12 111.157 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -176.72 -172.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 61.21 110.899 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.21 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.52 110.837 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.12 30.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 71.13 112.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.82 -44.47 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.947 0.404 . . . . 61.5 110.939 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.762 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -81.0 -32.93 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.902 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.558 ' SD ' HG22 ' A' ' 127' ' ' ILE . 12.8 mtt -70.07 -51.55 31.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.906 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -54.32 -28.68 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 62.44 111.132 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 87' ' ' VAL . 6.1 mm-40 -83.52 -26.17 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 71.35 110.898 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.403 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -85.02 -25.89 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.843 -179.788 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -84.99 -36.7 21.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 62.45 110.91 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -17.95 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.889 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 83' ' ' GLU . 21.9 t -71.01 -27.29 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 71.23 111.137 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.4 mt -86.03 -36.01 19.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -77.96 -35.36 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 64.42 110.916 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -80.66 -19.94 44.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.817 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.701 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.9 tp -72.25 -47.48 49.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 63.5 110.933 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.7 t -53.42 -27.57 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.45 111.086 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -30.97 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -22.93 32.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.889 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.1 tp -82.47 -45.79 14.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.91 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -60.67 -27.28 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 61.35 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -12.45 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.859 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.47 HD13 ' OH ' ' A' ' 51' ' ' TYR . 1.7 tp -51.84 -23.94 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 74.15 111.101 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -57.58 -19.81 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.53 111.149 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -19.87 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.888 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.639 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.63 -55.28 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.907 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.93 80.79 29.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 61.51 111.143 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.21 11.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 63.25 112.382 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.8 t -69.53 -35.44 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 70.14 110.864 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.64 -15.6 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 71.42 111.147 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -53.16 -23.75 9.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.865 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.19 -18.36 35.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.844 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.513 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.94 -14.29 56.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 73.41 111.089 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.538 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.46 -57.49 8.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.65 0.738 . . . . 61.43 111.171 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.81 -14.07 35.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 75.02 112.339 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.36 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 64.31 110.888 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 108' ' ' ALA . 7.8 tt -77.25 -21.99 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.15 111.104 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.06 -26.97 12.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 75.32 112.489 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.26 -31.8 70.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 74.21 110.906 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -85.39 -34.45 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.894 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -65.19 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.912 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.59 -25.01 64.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.893 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -62.02 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.867 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 123' ' ' VAL . 7.3 m -66.71 -38.29 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 71.53 111.17 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -54.02 -29.19 42.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 51.51 110.89 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -85.55 -25.44 26.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 73.31 110.91 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.07 -23.37 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 74.45 110.926 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 119' ' ' THR . 94.9 t -57.65 -23.08 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 75.41 111.138 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.574 ' HG2' HD11 ' A' ' 127' ' ' ILE . 1.6 mt-10 -66.68 -19.98 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 72.43 110.89 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -20.6 65.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 65.01 110.868 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.697 ' HA ' HG21 ' A' ' 19' ' ' VAL . 1.2 p -80.23 -37.71 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 61.03 110.822 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.574 HD11 ' HG2' ' A' ' 124' ' ' GLU . 46.6 pt -84.04 -26.41 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.45 111.102 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -76.55 -20.82 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 70.54 110.932 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.653 HD12 HG23 ' A' ' 19' ' ' VAL . 26.1 mt -85.07 -42.66 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.53 111.122 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.548 ' O ' HG12 ' A' ' 133' ' ' VAL . 39.4 p -79.19 -22.53 44.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 61.32 111.158 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.07 -18.62 48.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 60.55 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -83.16 -20.53 34.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.905 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -74.31 -19.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 73.01 111.142 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -64.57 -23.03 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.12 111.172 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 52.03 110.854 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.712 ' HB3' HD13 ' A' ' 12' ' ' ILE . 34.6 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.815 0.341 . . . . 41.42 110.836 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.4 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 61.44 111.099 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.409 ' HA ' ' HE3' ' A' ' 10' ' ' MET . 8.0 mmm -78.27 -43.77 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 41.24 110.865 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -90.29 -19.19 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 71.11 111.098 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.712 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.3 -28.37 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.23 111.144 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.51 -24.31 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 70.42 110.865 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -43.02 56.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 54.23 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.17 -25.05 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 65.32 111.103 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.89 -53.14 44.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 65.35 110.944 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -61.65 -18.86 61.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.88 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -38.68 48.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.5 110.858 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.613 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.09 -28.2 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 44.43 111.091 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.44 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.92 -18.9 45.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 70.0 110.898 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.32 -56.98 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 55.43 110.87 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -36.38 80.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.891 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 20' ' ' PHE . 25.2 mt -51.73 -33.24 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 71.33 111.092 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.04 -30.24 34.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 33.31 110.86 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -59.06 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 53.44 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.499 HD13 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -57.08 -23.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 71.53 111.123 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.749 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -83.99 -55.97 2.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.691 -0.766 . . . . 74.42 112.504 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -52.03 -34.64 44.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 72.2 111.137 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.71 -34.62 74.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.866 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -82.0 -22.87 36.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 75.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 27' ' ' GLY . 57.6 t -68.22 -20.59 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.179 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.17 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.55 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 65.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.611 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -78.93 -38.55 22.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 74.13 112.516 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -23.86 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 74.14 110.869 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.0 -39.77 49.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.44 110.884 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.582 HG22 ' HB1' ' A' ' 108' ' ' ALA . 1.4 mp -73.55 -40.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 73.1 111.131 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.69 -59.02 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.921 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -50.46 -35.82 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.921 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -38.94 73.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 70.33 110.852 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.557 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 40.7 mm-40 -64.87 -38.66 91.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 63.22 110.927 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.51 -41.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.89 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.13 27.43 22.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 43.44 112.515 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.66 -171.57 13.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 52.14 112.501 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.63 -146.8 18.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 65.54 112.531 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.87 -116.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 72.31 112.51 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.19 159.0 2.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 25.33 112.452 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.94 -165.43 29.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 71.53 112.534 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -9.69 26.71 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.719 2.28 . . . . 54.3 112.286 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.48 -31.01 62.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 65.32 110.929 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.626 ' HE2' HD12 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -76.84 -29.37 55.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.95 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -67.83 -36.38 80.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 73.34 110.876 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.07 -26.32 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 75.1 111.126 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.7 -31.51 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 62.23 111.131 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.17 -24.7 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.905 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.651 ' HA ' HD11 ' A' ' 91' ' ' LEU . 6.9 t -86.1 -45.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 73.22 111.112 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.4 mm -74.64 -22.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 71.1 111.127 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.93 -60.74 5.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.73 . . . . 53.11 110.918 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.716 ' CG ' HD13 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.75 -24.97 29.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.714 2.276 . . . . 74.33 112.37 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.31 70.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.25 110.938 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -56.65 -59.76 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.34 40.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 64.31 110.913 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.71 -24.74 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.852 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -38.98 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 65.35 110.85 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -65.06 -25.62 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 62.25 110.842 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -68.95 -34.21 74.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 51.41 110.92 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -62.64 -20.49 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 61.32 111.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.97 -13.77 38.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 63.42 112.519 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.758 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.1 tp -91.08 -9.2 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 75.43 110.907 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.429 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.12 -31.85 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 74.04 111.099 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -97.31 1.11 49.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -119.0 -60.58 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 71.32 110.921 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.55 74.7 23.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 61.24 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.47 17.65 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.25 . . . . 62.4 112.335 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 100.0 m -57.58 -22.79 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 51.4 111.12 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -176.41 -172.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.6 p -62.46 -17.24 59.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.893 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.81 30.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 64.21 112.466 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.75 -44.35 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 54.52 110.903 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.758 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -81.04 -34.19 32.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 61.05 110.853 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.429 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.4 mtt -68.69 -51.87 37.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 51.21 110.89 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 t -54.06 -28.67 40.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 75.34 111.146 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 87' ' ' VAL . 10.1 tt0 -80.92 -28.1 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 54.02 110.907 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -84.97 -26.11 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.91 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.679 ' HG3' HG11 ' A' ' 123' ' ' VAL . 1.0 OUTLIER -84.98 -33.37 22.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 73.55 110.914 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -18.02 59.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.852 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 83' ' ' GLU . 5.6 t -86.52 -23.0 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 72.54 111.15 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.686 ' CD1' HG21 ' A' ' 123' ' ' VAL . 30.9 mt -69.37 -36.29 76.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.92 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.479 ' O ' HG22 ' A' ' 92' ' ' THR . 0.2 OUTLIER -79.69 -34.15 40.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 42.31 110.914 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -19.96 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.883 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.716 HD13 ' CG ' ' A' ' 59' ' ' PRO . 1.8 tp -70.16 -46.05 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 72.34 110.893 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.0 t -53.53 -27.02 23.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 60.12 111.136 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -26.32 36.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 72.44 110.919 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -28.65 56.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 53.41 110.886 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.541 HD11 ' CE1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -83.11 -36.08 25.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.53 -23.03 48.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 63.42 110.909 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -12.46 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 63.25 110.9 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.626 HD12 ' HE2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -51.49 -24.46 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 44.54 111.102 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.4 p -57.74 -19.42 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.15 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -85.3 -20.1 30.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.05 110.903 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.655 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.8 -55.31 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 61.54 110.935 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.9 mp -137.85 81.68 27.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 75.44 111.178 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -2.83 10.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 62.32 112.323 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.2 t -69.15 -11.74 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 64.42 110.887 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.8 p -80.12 -14.03 58.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 64.34 111.185 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 t -49.36 -26.58 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 60.24 110.818 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -43.43 71.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.859 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.582 ' HB1' HG22 ' A' ' 37' ' ' ILE . . . -85.5 -14.98 44.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.41 111.129 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.64 -56.92 9.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 65.14 111.155 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.77 -14.32 35.9 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.273 . . . . 62.53 112.356 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -43.41 14.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 51.3 110.914 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.611 HD12 ' HA2' ' A' ' 34' ' ' GLY . 12.4 tt -89.11 -21.98 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.42 111.089 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.34 -27.83 12.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 63.12 112.438 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -62.07 -36.62 82.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 64.32 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.45 -33.03 21.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 64.43 110.92 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.7 mtp -51.89 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.914 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -60.25 -26.98 66.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 73.2 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -47.55 68.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.918 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 123' ' ' VAL . 31.9 m -57.91 -55.23 37.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 72.13 111.144 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -51.94 -43.85 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.932 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.62 -41.73 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 65.11 110.864 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.499 ' CE2' HD13 ' A' ' 26' ' ' ILE . 24.4 t80 -58.8 -23.81 60.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.01 110.909 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.686 HG21 ' CD1' ' A' ' 88' ' ' LEU . 97.0 t -57.71 -23.0 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.13 111.17 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.693 ' CG ' HD11 ' A' ' 127' ' ' ILE . 4.4 tt0 -59.26 -21.67 59.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 41.23 110.87 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.5 p -54.88 -30.11 57.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 75.54 110.834 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -56.55 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.837 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.693 HD11 ' CG ' ' A' ' 124' ' ' GLU . 42.8 pt -64.74 -26.7 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 70.1 111.143 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -72.19 -48.68 41.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.876 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.613 HD12 HG23 ' A' ' 19' ' ' VAL . 22.3 mt -63.72 -42.05 94.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.145 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 5.4 p -69.34 -22.56 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 55.41 111.143 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.24 -18.34 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.884 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -84.68 -19.84 32.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.909 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.51 -25.61 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.12 111.138 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.3 tp -78.08 -22.87 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 63.34 111.121 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 63.12 110.885 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.697 ' HB3' HD13 ' A' ' 12' ' ' ILE . 39.4 m-70 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.797 0.332 . . . . 73.41 110.823 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.29 -47.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 51.24 111.068 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.2 mmt -80.3 -44.5 19.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.24 -19.03 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 75.42 111.11 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.697 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.38 -28.52 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.21 111.113 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.22 -20.49 60.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 63.51 110.857 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.1 -48.16 10.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.55 110.828 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.4 mt -56.17 -24.94 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 75.15 111.13 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -52.72 -50.72 62.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 53.12 110.972 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.602 ' N ' HD23 ' A' ' 16' ' ' LEU . 10.5 mttt -61.26 -18.87 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 42.05 110.898 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.72 -39.4 52.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.862 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.95 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.12 -28.13 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.45 111.098 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.72 -18.98 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -70.06 -43.04 72.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.1 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.53 -46.07 63.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.893 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mp -52.48 -38.15 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 72.55 111.192 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.3 m -81.0 -22.11 39.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.892 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -58.99 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.25 110.89 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.8 tt -82.82 -19.96 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.117 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.2 -20.53 79.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 50.32 112.472 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -76.66 -40.41 49.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 54.41 111.148 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.82 -23.95 65.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.893 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -73.27 -21.85 60.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 63.23 110.853 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 t -68.73 -20.47 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 65.25 111.092 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -59.16 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.881 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.6 -22.57 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 61.01 111.129 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.748 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -76.73 -39.61 28.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 32.52 112.501 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.474 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.22 -22.96 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 71.13 110.896 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -77.16 -38.88 50.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 65.05 110.971 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.937 HG23 HD13 ' A' ' 111' ' ' LEU . 1.4 mp -76.61 -41.68 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.127 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.61 -57.69 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.871 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.6 mm? -49.42 -31.02 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 64.43 110.918 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -64.32 -51.62 62.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.15 110.88 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.536 ' NE2' HD12 ' A' ' 111' ' ' LEU . 21.8 mt-30 -74.41 -56.63 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 64.43 110.902 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.45 52.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.859 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.411 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -81.53 -16.78 72.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 62.01 112.51 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -102.84 79.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 53.01 112.487 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.74 -112.5 1.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 45.34 112.528 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.19 -94.37 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 53.53 112.482 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.92 -178.98 14.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 73.43 112.533 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.74 -177.96 18.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.468 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -10.84 29.5 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 74.22 112.319 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.521 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.46 -24.71 39.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.934 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.4 ' HE2' HD13 ' A' ' 98' ' ' ILE . 1.4 t80 -65.83 -37.66 86.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 65.23 110.95 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CD2' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -64.14 -49.04 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.03 110.87 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.487 HG23 ' CD2' ' A' ' 52' ' ' PHE . 57.0 t -72.41 -31.42 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 74.41 111.112 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.92 -34.6 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 71.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.16 -24.31 26.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.2 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.5 t -86.45 -44.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 70.54 111.167 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -74.91 -23.56 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 64.03 111.155 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.4 mm-40 -51.59 -60.7 5.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.672 0.748 . . . . 74.24 110.915 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.4 Cg_endo -69.75 -23.64 30.59 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.616 2.211 . . . . 74.4 112.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -32.76 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 52.43 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -54.4 -60.47 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -56.02 -25.11 43.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.908 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -82.56 -24.72 33.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 65.03 110.826 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.3 m -52.91 -29.11 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 72.14 110.866 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -57.02 -24.14 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 72.13 110.884 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.574 HD22 ' HD3' ' A' ' 80' ' ' LYS . 7.7 mt -74.38 -47.85 31.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.943 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.0 p -66.34 -13.46 60.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 71.41 111.143 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.84 -14.1 32.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 42.12 112.472 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -17.26 26.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 74.54 110.897 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.698 HG21 ' HG2' ' A' ' 81' ' ' MET . 3.1 t -94.64 -31.89 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 71.55 111.145 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.561 ' CB ' HD12 ' A' ' 16' ' ' LEU . 21.9 m-85 -91.33 1.06 57.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.862 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -105.8 -66.02 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.951 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.1 tp -150.72 71.99 8.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 73.05 110.948 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 129.25 17.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 72.51 112.336 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -112.43 43.68 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 63.02 111.142 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.81 166.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.4 110.899 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 m -65.9 -14.36 61.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.855 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.21 43.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.752 . . . . 71.43 112.47 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.93 -60.7 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 74.34 110.897 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.574 ' HD3' HD22 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -81.16 -20.03 42.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.888 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.698 ' HG2' HG21 ' A' ' 70' ' ' VAL . 12.6 mtt -68.57 -54.41 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.891 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t -54.02 -31.56 51.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.11 111.156 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 87' ' ' VAL . 2.3 mt-10 -88.03 -20.02 26.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.931 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.486 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -84.21 -21.02 31.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.883 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -77.93 -53.29 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 60.41 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.9 m -62.1 -17.96 59.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 61.42 110.871 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 63' ' ' PHE . 3.4 t -76.13 -31.6 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 70.4 111.108 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.96 -33.68 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 52.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -27.85 28.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 65.1 110.887 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 t -87.17 -19.8 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.861 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -42.1 62.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 52.05 110.893 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -58.3 -22.07 51.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 71.33 111.116 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.51 -38.99 56.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.899 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -33.26 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 65.1 110.883 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 tp -83.41 -47.2 11.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.909 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.64 -24.99 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.921 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -12.6 61.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.918 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.4 HD13 ' HE2' ' A' ' 51' ' ' TYR . 3.5 tp -51.77 -23.78 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 70.13 111.108 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.22 -20.17 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 64.22 111.106 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -19.48 33.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.852 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.628 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.54 -55.05 2.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 64.04 110.94 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.628 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.78 79.84 32.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 64.24 111.155 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -2.89 10.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 65.02 112.365 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 p -69.51 -35.63 75.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 71.32 110.862 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.4 p -90.93 -15.55 29.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 42.11 111.126 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 t -53.32 -23.79 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 53.12 110.836 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -59.16 -18.58 37.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 73.33 110.852 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.2 -14.03 56.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 61.41 111.107 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.549 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.42 8.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.73 . . . . 54.13 111.125 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.76 -14.24 35.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 71.01 112.328 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.937 HD13 HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -84.45 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 64.24 110.901 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.748 HD12 ' HA2' ' A' ' 34' ' ' GLY . 12.8 tt -76.9 -21.95 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 72.15 111.104 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.13 -26.59 12.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 63.21 112.439 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -59.57 -29.84 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.771 0.32 . . . . 71.31 110.868 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -85.29 -35.31 21.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 75.22 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.841 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.13 -25.53 63.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 73.21 110.918 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -61.64 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.882 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.7 m -67.52 -37.14 82.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 70.44 111.17 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -57.06 -25.8 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.04 110.933 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -81.91 -20.92 37.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 62.22 110.887 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -84.11 -21.06 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.0 -27.38 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 74.03 111.103 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.427 ' HG2' HD11 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -60.62 -19.98 59.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.869 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 t -60.72 -24.61 65.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.845 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.492 ' HA ' HG21 ' A' ' 19' ' ' VAL . 15.4 m -72.59 -56.51 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 62.42 110.834 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.427 HD11 ' HG2' ' A' ' 124' ' ' GLU . 21.0 pt -60.78 -24.02 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 64.43 111.149 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -50.33 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.875 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.95 HD12 HG23 ' A' ' 19' ' ' VAL . 33.8 mt -65.97 -43.0 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 71.32 111.164 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.3 p -71.33 -22.52 61.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 62.51 111.145 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -18.35 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.875 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -19.85 31.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 52.21 110.9 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.66 -25.73 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 72.2 111.153 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.58 -22.85 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 72.22 111.167 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 54.52 110.899 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.766 0.317 . . . . 73.31 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.518 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.66 -47.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 52.34 111.119 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.9 mmt -80.16 -44.58 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 61.53 110.891 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.25 -18.97 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.32 111.191 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.518 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.39 -28.52 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 64.42 111.159 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -76.62 -21.12 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 63.54 110.848 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -78.18 -22.11 49.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.794 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.514 HG22 ' CD1' ' A' ' 129' ' ' ILE . 6.0 mm -77.56 -24.95 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 70.31 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -42.43 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.906 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -53.0 -33.27 50.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.933 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t -66.47 -32.29 73.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 54.51 110.91 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -88.13 -32.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 73.34 111.13 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.67 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.63 -18.92 46.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 65.43 110.86 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.58 -45.24 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 51.5 110.903 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -44.83 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 54.4 110.882 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 20' ' ' PHE . 39.3 mt -51.76 -43.0 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.22 111.121 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 m -81.1 -20.98 40.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 62.44 110.831 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -68.67 -59.06 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.878 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -86.07 -20.0 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 74.21 111.114 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.741 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -76.11 -52.37 6.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 42.34 112.487 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.5 m -51.95 -48.9 64.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 71.05 111.17 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.88 -23.2 65.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.872 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -82.0 -28.35 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.892 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 27' ' ' GLY . 40.5 t -68.29 -20.47 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 70.54 111.134 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -86.65 -56.62 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -23.12 34.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.116 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' CA ' HD12 ' A' ' 112' ' ' ILE . . . -73.82 -40.81 43.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 50.1 112.494 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.489 ' O ' HD23 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.73 -22.38 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 71.31 110.891 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.17 -36.09 47.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.436 HG21 ' HB3' ' A' ' 111' ' ' LEU . 1.0 OUTLIER -72.86 -39.57 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 54.24 111.152 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.67 -45.74 61.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.888 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -51.5 -37.2 47.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 64.22 110.895 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -45.38 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.87 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.98 -43.71 63.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.937 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -179.45 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.885 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.22 23.64 33.87 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 62.12 112.449 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.78 -157.93 13.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.689 -0.767 . . . . 50.44 112.469 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.16 169.82 18.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 74.12 112.481 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.16 -88.83 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.748 . . . . 71.23 112.479 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.83 159.4 3.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 61.14 112.479 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.83 -179.68 38.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 70.11 112.505 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.76 29.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.667 2.245 . . . . 71.2 112.34 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.508 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.39 -29.86 37.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 62.32 110.922 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -39.31 86.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 73.2 110.924 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -31.13 72.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.4 110.837 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.7 t -88.16 -28.39 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 72.41 111.115 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 50' ' ' LEU . 38.6 t -80.93 -28.21 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.34 111.124 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.78 -24.72 22.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 62.41 110.84 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.9 p -89.0 -28.09 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.168 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.1 mm -91.19 -25.93 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.12 111.135 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mt-10 -51.25 -60.22 6.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 74.43 110.879 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.761 ' HG2' HD22 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.8 -33.79 15.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.7 2.267 . . . . 71.2 112.316 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -63.68 -29.89 71.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 74.03 110.845 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -59.24 5.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 72.5 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -25.77 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 73.04 110.894 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -24.83 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.909 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -38.61 65.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 62.22 110.878 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -78.04 -23.82 48.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 62.04 110.855 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.79 -33.34 74.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 74.32 110.918 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.43 HG21 ' CE2' ' A' ' 20' ' ' PHE . 8.1 m -62.66 -19.95 64.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 71.04 111.075 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.05 -13.62 38.99 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 35.21 112.449 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.746 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.4 tp -91.1 -7.94 50.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 63.24 110.91 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -94.92 -31.77 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 52.54 111.165 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -98.59 1.11 46.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.866 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -118.51 -59.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 54.33 110.894 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 tp -141.73 75.01 22.22 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.651 0.738 . . . . 65.42 110.906 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.34 17.41 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 42.24 112.344 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.0 m -60.55 -19.01 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 33.11 111.147 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.78 -171.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.806 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.2 p -64.58 -15.67 61.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 72.23 110.834 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.1 31.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 74.43 112.489 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -85.5 -45.71 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 71.23 110.865 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.746 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -78.64 -32.48 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.868 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.417 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.7 mtt -71.15 -53.68 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 73.24 110.842 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 t -53.82 -28.02 33.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 44.15 111.193 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.3 tt0 -83.08 -28.34 29.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.904 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.01 -20.98 29.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 45.31 110.881 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -84.68 -38.73 19.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.881 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -18.02 59.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.865 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 83' ' ' GLU . 6.2 t -71.62 -31.1 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.173 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.97 -34.46 20.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 73.53 110.911 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 92' ' ' THR . 33.8 mtpt -76.34 -36.52 58.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.867 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.0 t -81.01 -19.88 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 54.2 110.846 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.761 HD22 ' HG2' ' A' ' 59' ' ' PRO . 2.0 tp -74.8 -48.13 27.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.879 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.4 t -53.71 -27.45 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 72.02 111.134 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.34 -33.14 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 71.34 110.895 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -83.57 -22.95 32.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.908 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.9 tp -81.58 -38.04 26.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 62.35 110.914 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -70.69 -26.09 63.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.875 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -10.32 59.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.869 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.7 tp -50.19 -25.05 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.13 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.22 -19.9 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 72.31 111.137 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -83.92 -20.24 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.905 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.633 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.74 -54.95 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.916 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.82 80.99 29.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 71.22 111.158 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -3.42 11.93 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.661 2.241 . . . . 65.55 112.388 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -35.8 75.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.53 110.839 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.9 p -91.1 -15.62 29.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 71.31 111.149 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.4 t -56.93 -20.59 24.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.832 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -59.11 -18.45 35.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 74.22 110.852 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.06 -14.13 56.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 63.34 111.095 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.546 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.46 8.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 74.11 111.153 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.2 Cg_endo -69.8 -14.17 35.58 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 62.32 112.319 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.436 ' HB3' HG21 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -84.44 -61.3 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.893 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 108' ' ' ALA . 5.8 tt -76.79 -21.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 52.11 111.151 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -49.88 -28.74 12.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 62.12 112.504 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -64.34 -39.18 93.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 75.15 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -85.13 -22.5 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.14 110.908 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -65.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 73.41 110.832 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.75 -26.4 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 55.21 110.928 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -60.13 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.856 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 123' ' ' VAL . 53.0 m -70.28 -38.66 75.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 72.32 111.12 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -27.1 36.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.935 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.48 -27.79 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.892 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.57 -21.68 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 64.25 110.839 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 119' ' ' THR . 53.2 t -55.99 -28.15 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 50.1 111.157 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.609 ' O ' HD12 ' A' ' 127' ' ' ILE . 3.5 mt-10 -66.26 -20.87 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.936 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.9 m -56.01 -25.76 45.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 55.03 110.796 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -33.75 67.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 70.23 110.837 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 124' ' ' GLU . 2.3 mp -83.43 -24.01 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 54.14 111.153 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -52.17 -39.84 60.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.93 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.514 ' CD1' HG22 ' A' ' 15' ' ' ILE . 21.2 mt -66.7 -58.06 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.076 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -22.52 49.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 72.2 111.14 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.625 ' O ' HG22 ' A' ' 134' ' ' ILE . 0.2 OUTLIER -59.92 -18.71 47.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.864 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -84.84 -33.43 22.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.873 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.09 -21.37 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.34 111.131 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 131' ' ' GLU . 1.1 tt -52.94 -28.04 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.091 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.889 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.764 0.316 . . . . 73.41 110.805 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.52 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 55.45 111.147 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 mmt -80.24 -44.6 19.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 61.13 110.869 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.6 m -90.2 -19.01 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 73.31 111.163 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.513 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.43 -28.49 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 61.2 111.137 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -84.9 -20.34 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.12 -48.81 19.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.806 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.2 mm -56.14 -24.95 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 61.32 111.132 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 71' ' ' PHE . 7.6 tt -54.07 -45.22 71.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.925 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -63.01 -19.07 64.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.866 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.79 -34.14 30.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 53.34 110.904 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.06 HG21 HD11 ' A' ' 129' ' ' ILE . 3.4 t -88.1 -31.43 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.02 111.1 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.517 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.48 -18.89 47.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.4 110.912 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.68 -45.69 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 52.01 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -36.52 69.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 63.4 110.902 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 20' ' ' PHE . 28.9 mt -51.96 -40.04 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.11 111.15 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.09 -20.99 40.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 72.01 110.858 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -65.69 -59.02 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.932 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 pt -81.57 -20.03 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.132 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.68 75.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.479 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 p -92.0 -21.01 20.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.728 0.299 . . . . 73.02 111.097 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.99 -29.75 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 60.13 110.889 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.0 p -82.04 -17.96 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.52 110.835 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.26 -20.47 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 54.25 111.15 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -87.27 -56.42 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 73.35 110.815 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.85 -26.33 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 64.42 111.145 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.98 -39.19 93.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 55.22 112.492 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.86 -24.4 22.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 75.11 110.854 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mp -77.07 -35.26 56.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 61.43 110.943 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.473 HG12 HD12 ' A' ' 111' ' ' LEU . 1.1 mp -75.8 -50.44 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.11 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.82 -57.67 11.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 61.15 110.86 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.451 HD12 ' HA2' ' A' ' 43' ' ' GLY . 4.2 mp -51.34 -36.13 41.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 65.21 110.95 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t -65.13 -41.22 95.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 72.51 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.48 -40.68 61.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.901 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.86 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.878 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' A' ' 39' ' ' LEU . . . 96.7 -24.74 29.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 74.52 112.508 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.25 -174.64 35.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 53.03 112.479 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.81 -53.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 32.32 112.49 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.1 -117.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.676 -0.773 . . . . 43.14 112.503 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.14 147.31 13.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 61.33 112.497 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.03 -165.43 27.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.684 -0.77 . . . . 63.44 112.524 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 73.52 112.383 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -73.76 -35.88 65.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.645 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -62.78 -38.14 89.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.969 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -65.61 -49.51 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 74.35 110.864 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.48 -34.14 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.52 111.139 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.6 -36.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.15 111.106 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -82.99 -23.94 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.911 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.2 t -87.54 -44.23 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 64.13 111.11 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.1 mm -74.06 -24.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 73.35 111.119 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.7 mt-10 -52.14 -60.38 6.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 62.53 110.915 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.826 ' HG3' HD13 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.74 -20.89 34.35 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 74.21 112.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.9 m -66.16 -34.44 78.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 60.45 110.904 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -62.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 54.45 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -56.26 -24.87 45.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.881 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -24.39 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.5 110.885 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 67' ' ' THR . 68.3 m -55.55 -34.26 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.842 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.81 -20.89 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.924 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.6 mt -73.71 -48.55 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 72.3 110.938 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 64' ' ' SER . 9.8 t -64.4 -14.88 59.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.154 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.44 -13.14 36.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 73.5 112.486 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -12.46 35.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 72.42 110.944 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.763 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.5 t -91.21 -44.34 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 54.13 111.127 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.552 ' CZ ' HD13 ' A' ' 129' ' ' ILE . 35.9 m-85 -83.05 1.14 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 61.43 110.887 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -120.18 -67.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 72.31 110.931 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -120.2 76.41 23.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 73.34 110.933 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 129.0 16.92 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.733 2.289 . . . . 74.05 112.337 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.5 p -102.94 -13.21 17.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 63.15 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -176.42 179.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 54.2 110.897 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.8 m -60.14 -20.58 59.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.846 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.56 41.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 72.45 112.489 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 82' ' ' THR . 5.4 mm-40 -67.05 -51.54 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 71.43 110.84 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.21 -30.91 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 70.32 110.947 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.763 ' HG2' HG21 ' A' ' 70' ' ' VAL . 8.8 mtt -63.5 -40.11 96.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 73.41 110.893 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.4 t -56.55 -23.81 42.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 71.5 111.116 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.9 tt0 -80.13 -24.15 40.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 71.33 110.875 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 t -81.84 -27.9 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 72.32 110.861 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -63.53 -28.97 70.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 62.02 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.03 -17.97 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 23.11 110.853 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 83' ' ' GLU . 85.5 t -73.8 -29.03 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.33 111.115 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.2 mt -86.08 -35.27 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 61.22 110.936 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 92' ' ' THR . 2.5 ttmm -76.7 -36.31 57.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 63.35 110.931 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.2 p -80.56 -19.87 44.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 63.52 110.835 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.826 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.8 tp -73.88 -48.3 31.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 71.12 110.928 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.5 t -53.8 -27.09 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 62.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -26.84 38.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.895 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -27.25 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 55.14 110.873 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -83.18 -49.23 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 51.12 110.944 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -57.72 -26.45 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.11 110.92 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -12.88 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.897 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.645 HD13 ' CE2' ' A' ' 51' ' ' TYR . 1.8 tp -52.05 -24.34 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 70.42 111.16 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -57.77 -19.55 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.15 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -85.19 -19.98 30.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 55.14 110.863 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.648 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.64 -55.35 2.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 74.12 110.967 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.95 81.26 28.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 74.51 111.141 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -3.4 11.9 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.717 2.278 . . . . 74.43 112.389 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -35.42 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 51.4 110.859 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 81.5 p -90.68 -15.47 30.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 70.55 111.158 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.7 t -52.98 -23.79 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 63.44 110.876 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -59.11 -18.44 35.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 54.12 110.84 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.92 -14.22 56.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 52.23 111.113 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.51 -57.5 8.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.667 0.746 . . . . 74.25 111.124 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.8 -14.0 35.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 65.41 112.317 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.473 HD12 HG12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.44 -61.29 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.896 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 108' ' ' ALA . 3.9 tt -77.29 -22.03 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.35 111.088 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.71 -27.56 13.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 64.35 112.48 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -61.52 -35.0 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 74.23 110.913 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -85.46 -30.57 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -65.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 75.53 110.888 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -26.88 63.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.93 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -61.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.886 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 123' ' ' VAL . 30.6 m -63.04 -37.9 89.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.1 111.152 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -55.36 -34.45 64.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.873 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.01 -17.0 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 63.14 110.867 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -85.45 -23.87 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.901 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 119' ' ' THR . 59.4 t -58.73 -23.01 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 70.11 111.104 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.42 -19.94 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.93 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.4 m -56.13 -26.83 51.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.4 110.81 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.8 t -52.99 -41.53 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.839 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.31 -23.98 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 74.42 111.13 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -31.25 63.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 73.03 110.901 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 1.06 HD11 HG21 ' A' ' 19' ' ' VAL . 2.3 mp -75.93 -54.39 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.24 111.147 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -22.57 49.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 73.23 111.119 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.628 ' O ' HG22 ' A' ' 134' ' ' ILE . 2.8 tt0 -59.87 -18.73 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.897 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.79 -33.48 22.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 64.41 110.867 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -21.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 54.11 111.126 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 131' ' ' GLU . 1.1 tt -52.9 -28.03 13.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 75.22 111.129 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.907 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.401 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.765 0.317 . . . . 62.42 110.843 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.23 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.45 111.09 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.8 mmt -80.15 -44.52 19.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 75.21 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.25 -18.98 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 62.44 111.139 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.511 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.39 -28.51 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.21 111.114 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.54 -25.37 38.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 73.13 110.873 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -48.77 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 71.11 110.85 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.08 -24.97 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.43 111.163 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.6 HD13 ' CD1' ' A' ' 71' ' ' PHE . 10.3 tp -51.98 -45.19 64.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 74.15 110.881 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -28.43 69.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 61.13 110.881 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -36.36 77.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 72.53 110.864 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.588 ' CG2' HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -87.99 -28.17 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.51 111.147 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.676 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -81.14 -18.91 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 61.43 110.873 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -79.54 -42.11 25.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.1 110.852 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -46.55 81.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.886 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 20' ' ' PHE . 10.3 mt -51.53 -40.91 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.33 111.178 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.4 m -81.03 -21.02 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 71.44 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -69.0 -59.09 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.05 110.862 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.504 ' CG2' HG23 ' A' ' 119' ' ' THR . 1.2 tt -85.99 -19.92 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.41 111.157 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.75 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -65.62 -55.97 17.5 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.728 -0.749 . . . . 60.15 112.524 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.0 p -61.72 -20.91 64.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.747 0.308 . . . . 72.34 111.159 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -72.29 -38.58 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.885 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 m -82.01 -22.82 36.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.14 110.856 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 27' ' ' GLY . 60.0 t -68.07 -20.61 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 75.23 111.14 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -86.11 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.43 -23.09 47.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 70.22 111.107 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.35 -39.92 41.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 71.32 112.459 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.661 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.65 -26.7 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 73.25 110.879 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -71.87 -37.95 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.906 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.91 -37.61 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.126 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -46.21 87.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.896 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 35' ' ' ARG . 2.7 mm? -51.65 -29.59 18.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 70.2 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m -80.02 -56.52 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 61.2 110.892 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.29 -55.5 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 72.54 110.924 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.87 50.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.32 110.86 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.509 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -112.64 12.27 25.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 52.21 112.476 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.35 41.5 2.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 53.51 112.479 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.0 175.7 42.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 62.33 112.432 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.13 -151.17 7.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 52.1 112.512 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.18 154.56 5.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 21.14 112.501 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.39 -179.55 39.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 70.3 112.509 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.719 2.28 . . . . 73.15 112.344 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.22 -33.69 37.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.901 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.88 -36.31 82.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.878 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' HD2' HG23 ' A' ' 53' ' ' VAL . 1.7 t80 -64.37 -50.64 66.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 72.45 110.866 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.495 HG23 ' HD2' ' A' ' 52' ' ' PHE . 63.7 t -70.4 -32.2 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.11 111.12 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -73.56 -34.98 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 71.51 111.111 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -86.09 -24.23 26.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 51.02 110.889 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 t -86.29 -45.02 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.05 111.156 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mm -74.53 -23.36 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 63.31 111.12 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.6 -60.88 5.01 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.658 0.742 . . . . 74.34 110.908 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.75 -24.07 30.11 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 43.54 112.342 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -33.43 75.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 53.51 110.912 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -51.7 -55.9 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.876 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -25.5 51.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.874 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.09 -24.63 27.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 63.4 110.899 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -35.67 56.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.899 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.6 -26.08 41.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 65.01 110.887 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 84' ' ' SER . 6.3 mt -71.91 -37.99 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.22 110.923 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.422 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 6.8 m -62.48 -21.01 65.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 74.34 111.126 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.6 -13.66 40.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 31.2 112.475 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.723 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.4 tp -91.01 -8.11 50.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.341 . . . . 64.42 110.935 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.09 -31.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 63.01 111.122 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' HD13 ' A' ' 16' ' ' LEU . 67.4 m-85 -98.29 1.11 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -118.55 -59.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.925 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -142.74 75.11 18.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 74.22 110.911 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 129.52 17.72 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 62.42 112.36 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.6 m -58.31 -21.89 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.04 111.133 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.42 -172.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.867 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.7 p -62.54 -17.13 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.89 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.94 30.44 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 55.53 112.453 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.09 -44.24 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 71.51 110.889 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.723 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -81.07 -33.57 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 62.23 110.902 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.407 ' HG2' HG21 ' A' ' 70' ' ' VAL . 19.8 mtt -69.42 -53.92 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 63.43 110.876 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 t -53.85 -27.54 30.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 62.43 111.158 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.0 tt0 -82.97 -28.96 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 74.3 110.886 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.595 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -84.96 -21.0 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 61.13 110.885 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.73 -42.65 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 72.04 110.906 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 m -61.93 -18.27 59.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 45.11 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 83' ' ' GLU . 92.1 t -87.01 -22.98 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 71.43 111.129 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.11 -33.95 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.919 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -27.6 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.3 110.918 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.7 m -87.22 -19.77 27.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.84 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.36 -42.35 62.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.901 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -58.41 -22.03 52.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 71.35 111.145 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -51.01 -41.2 59.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.89 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -55.56 -33.72 64.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.874 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.1 tm? -83.39 -48.8 9.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.916 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -57.46 -24.87 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 70.45 110.913 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -13.04 61.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.889 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.9 tp -51.97 -24.23 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 73.44 111.148 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.7 p -57.66 -19.83 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 34.54 111.162 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -84.83 -19.49 32.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.887 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.6 -55.16 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 65.45 110.919 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.624 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.7 mp -137.85 79.99 31.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 72.34 111.097 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -3.4 11.97 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.66 2.24 . . . . 62.31 112.348 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -36.07 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 75.35 110.884 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.26 -15.74 28.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 70.52 111.148 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 m -61.48 -16.62 48.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 65.53 110.878 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.07 -18.72 37.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.04 110.854 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.34 -13.8 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 43.45 111.132 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.55 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.31 -57.41 8.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 74.12 111.131 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.0 Cg_endo -69.76 -14.23 35.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 52.3 112.373 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -61.42 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.902 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.23 -21.82 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 75.31 111.138 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.67 -27.13 11.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 52.24 112.475 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.35 -33.67 72.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.03 110.906 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -85.43 -32.26 22.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.956 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -65.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 65.52 110.864 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.36 -29.98 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.9 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -58.37 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 52.01 110.952 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.504 HG23 ' CG2' ' A' ' 26' ' ' ILE . 2.6 m -70.25 -37.05 74.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 62.12 111.174 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -26.55 48.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.875 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.94 -22.27 27.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.91 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -85.99 -36.75 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 63.13 110.859 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.55 -23.05 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.163 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -19.98 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.862 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -25.34 48.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 70.12 110.803 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.2 t -52.06 -36.68 51.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.871 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.93 -25.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 63.4 111.183 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -66.44 -54.42 24.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.899 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.588 HD12 ' CG2' ' A' ' 19' ' ' VAL . 31.2 mt -55.42 -43.16 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.3 111.133 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -22.51 65.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 60.42 111.193 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.19 -18.39 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.871 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -19.72 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.864 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.41 HG21 HD13 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.75 -26.72 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.13 111.143 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -30.9 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.088 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.899 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.64 ' HB3' HD13 ' A' ' 12' ' ' ILE . 50.1 m80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.775 0.321 . . . . 73.31 110.861 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.4 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.4 mmt -80.09 -44.58 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 54.23 110.906 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.17 -19.02 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 73.3 111.174 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.684 HD11 HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -83.39 -28.56 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 64.52 111.139 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -83.92 -17.96 38.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.871 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -83.16 -42.96 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -56.19 -24.91 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 71.32 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.744 HD12 ' HB2' ' A' ' 71' ' ' PHE . 9.2 tt -54.42 -43.95 71.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 61.42 110.907 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -63.58 -18.87 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.43 110.927 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.8 -39.77 50.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 61.34 110.891 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.565 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.12 -27.77 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 55.51 111.154 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.81 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -80.84 -18.95 45.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 53.11 110.881 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -70.11 -47.76 60.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 63.2 110.878 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -38.09 88.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.879 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 20' ' ' PHE . 70.4 mt -51.7 -37.71 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.32 111.129 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.425 ' O ' HG23 ' A' ' 28' ' ' THR . 5.0 m -80.99 -24.98 37.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.933 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -59.0 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 64.42 110.909 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 tt -85.78 -20.0 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.34 111.132 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.679 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -70.82 -43.62 58.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 60.23 112.447 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 24' ' ' CYS . 72.5 p -73.98 -37.3 64.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 64.4 111.139 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.87 -27.33 66.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 m -78.3 -29.66 47.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.887 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 27' ' ' GLY . 59.3 t -60.06 -20.51 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 72.22 111.141 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.31 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.1 110.84 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.59 -22.9 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 71.35 111.111 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.521 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -76.52 -39.06 31.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 63.11 112.475 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.66 -22.83 23.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 74.41 110.896 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.71 -38.5 47.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 61.32 110.894 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.522 HG23 ' HG ' ' A' ' 111' ' ' LEU . 1.3 mp -75.25 -41.04 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.31 111.126 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.25 -59.28 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 65.41 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD22 ' HA3' ' A' ' 43' ' ' GLY . 3.7 mm? -49.44 -31.02 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.898 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -61.89 -50.56 71.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.858 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -79.09 -58.04 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.958 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.48 53.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.856 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.474 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -55.76 -23.62 37.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 64.55 112.474 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.19 13.34 66.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 72.41 112.468 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.52 128.8 41.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 71.23 112.46 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.26 -114.04 3.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 70.32 112.467 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.72 175.19 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 70.12 112.469 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.44 -179.21 39.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.482 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.78 29.43 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 73.03 112.354 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.7 -24.99 38.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.935 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -68.12 -39.37 82.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.921 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -59.9 -38.83 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.844 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.93 -26.45 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 61.14 111.138 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -75.79 -31.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.115 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -24.68 22.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 t -85.96 -45.1 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.42 111.14 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mm -75.01 -22.56 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.02 111.089 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.2 mm-40 -51.82 -60.63 5.63 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 75.24 110.883 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.676 ' CG ' HD22 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.73 -25.81 28.37 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.25 . . . . 75.34 112.325 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.39 77.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.04 -60.3 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.907 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -25.46 42.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 45.24 110.873 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -24.88 33.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.864 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.2 m -55.16 -37.89 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 71.22 110.853 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.73 -22.07 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.927 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.593 HD22 ' HD3' ' A' ' 80' ' ' LYS . 79.0 mt -70.19 -47.85 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 73.03 110.918 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 t -65.28 -14.36 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.145 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.47 -13.7 32.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 65.23 112.527 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.01 -20.03 22.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 75.51 110.917 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.749 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.9 t -87.22 -31.9 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.11 111.148 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.744 ' HB2' HD12 ' A' ' 16' ' ' LEU . 48.6 m-85 -93.71 1.03 56.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.859 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -104.7 -61.22 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 44.24 110.876 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.3 mt -154.81 71.43 5.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.708 . . . . 73.53 110.918 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.08 16.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 44.23 112.322 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.73 43.36 2.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 45.11 111.134 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.77 166.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 64.21 110.91 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -65.75 -14.49 61.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.08 43.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 53.24 112.491 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.29 -60.2 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 73.11 110.869 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.593 ' HD3' HD22 ' A' ' 66' ' ' LEU . 1.7 mmtp -81.07 -19.95 42.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.943 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.749 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.0 mtt -69.01 -55.43 10.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 52.12 110.899 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.4 t -51.65 -31.69 26.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 72.5 111.118 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 87' ' ' VAL . 13.1 tt0 -84.8 -29.39 25.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.877 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -28.51 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.879 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -41.79 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 71.04 110.918 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -62.16 -17.94 59.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 43.21 110.881 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 83' ' ' GLU . 39.0 t -69.12 -31.83 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 71.01 111.117 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.0 mt -86.03 -34.65 20.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 70.3 110.916 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 92' ' ' THR . 5.4 ttmt -75.94 -36.71 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 73.33 110.869 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.4 t -80.69 -20.03 43.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 64.44 110.867 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.676 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.1 tp -75.32 -48.69 21.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 65.32 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.2 t -53.44 -27.73 26.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 62.34 111.177 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.19 -32.27 62.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.93 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.62 -22.87 32.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 61.22 110.904 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.9 tp -82.62 -38.09 24.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.925 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.431 ' O ' HG22 ' A' ' 99' ' ' VAL . 14.4 mttm -68.36 -32.91 73.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 74.55 110.918 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -11.98 61.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.856 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -23.54 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 72.42 111.1 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.446 HG12 ' HB2' ' A' ' 106' ' ' SER . 5.9 m -57.58 -19.69 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 63.14 111.109 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.13 -19.93 31.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.913 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.629 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.6 -55.39 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 73.13 110.933 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.629 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.99 80.98 28.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 73.54 111.162 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -3.38 11.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 55.44 112.377 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.8 p -69.61 -35.49 75.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 62.21 110.831 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.7 -15.52 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 64.41 111.155 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.446 ' HB2' HG12 ' A' ' 99' ' ' VAL . 2.9 t -52.89 -24.02 8.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 72.12 110.887 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.17 -18.42 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.87 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.96 -14.23 56.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 71.1 111.127 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.54 -57.49 8.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 62.3 111.113 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.9 Cg_endo -69.81 -14.01 35.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.264 . . . . 63.23 112.291 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HG ' HG23 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.41 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.932 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.521 HD12 ' HA2' ' A' ' 34' ' ' GLY . 8.7 tt -77.36 -22.02 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.02 111.1 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.82 -27.46 13.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 64.24 112.51 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -61.46 -34.44 75.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 61.43 110.858 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -85.43 -31.3 22.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 73.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 42.53 110.855 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.89 -24.97 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 54.15 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -52.43 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.902 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.5 m -69.35 -39.16 78.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 64.1 111.106 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -38.67 60.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.852 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.05 -16.98 36.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.49 -43.11 21.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 73.33 110.885 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.8 p -57.68 -22.98 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 63.45 111.171 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.53 -19.95 58.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 61.54 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -20.75 59.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 73.31 110.859 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -56.52 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 64.54 110.878 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.59 HG22 ' SD ' ' A' ' 81' ' ' MET . 26.2 pt -63.26 -24.0 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 62.43 111.13 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -48.51 48.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 71.21 110.944 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.565 HD12 HG23 ' A' ' 19' ' ' VAL . 85.2 mt -67.78 -48.21 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 65.12 111.17 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.728 HG21 ' CG1' ' A' ' 70' ' ' VAL . 47.3 p -65.04 -22.51 66.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 75.04 111.145 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -18.36 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -84.75 -19.87 31.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 63.51 110.887 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.684 HG21 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.69 -25.6 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.24 111.096 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.84 -22.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.14 111.133 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.852 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 74.05 110.83 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -173.05 -47.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.14 111.097 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -44.55 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 64.52 110.861 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.35 -18.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 71.32 111.133 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.507 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.41 -28.54 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.1 111.129 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.3 -20.5 29.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.882 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -84.02 -48.45 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 73.23 110.863 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.13 -24.95 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 71.12 111.142 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 71' ' ' PHE . 2.1 tt -55.66 -36.91 67.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 54.34 110.925 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -18.96 65.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.902 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -39.69 49.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 54.42 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.744 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -88.02 -27.84 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.117 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.685 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.6 t80 -80.87 -18.94 45.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.941 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.33 -45.73 65.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 63.44 110.864 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 20' ' ' PHE . 68.1 mt -51.84 -40.33 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 52.13 111.145 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.4 m -81.03 -20.96 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.898 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -67.56 -59.06 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 63.23 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.565 HD11 HG23 ' A' ' 119' ' ' THR . 14.6 pt -86.02 -19.96 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 73.34 111.125 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.34 -18.16 73.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 61.04 112.483 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 p -91.99 -37.55 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 71.45 111.171 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -68.68 -18.03 64.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.859 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.13 -20.99 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.844 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.32 -20.95 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.01 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.68 -53.71 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.898 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.491 ' HB1' ' HE2' ' A' ' 115' ' ' TYR . . . -54.47 -24.77 21.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.54 111.083 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.46 -40.37 79.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 71.23 112.504 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.485 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -89.27 -21.52 23.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 55.34 110.943 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -78.96 -36.11 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 61.03 110.934 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.962 HG23 HD13 ' A' ' 111' ' ' LEU . 1.1 mp -75.57 -51.0 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.151 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -53.86 -58.53 6.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.872 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.42 -34.02 33.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 72.15 110.918 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -62.58 -42.83 99.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.01 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.705 ' NE2' HD12 ' A' ' 111' ' ' LEU . 8.3 mt-30 -77.76 -43.22 31.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.891 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.7 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 64.43 110.873 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.55 21.96 44.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 70.01 112.494 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.93 -172.82 21.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 74.14 112.484 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.18 -179.09 19.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.816 -0.707 . . . . 62.55 112.509 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.68 -101.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 71.31 112.503 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.17 152.7 6.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 32.41 112.508 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.95 -165.15 27.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 41.13 112.469 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -9.9 27.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.699 2.266 . . . . 73.5 112.362 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 54' ' ' VAL . 5.1 mt -73.86 -34.06 64.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 63.43 110.934 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.658 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -66.83 -37.87 85.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.94 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -33.17 75.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 65.33 110.881 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 56' ' ' VAL . 42.6 t -86.24 -29.02 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 60.42 111.117 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 50' ' ' LEU . 42.2 t -80.88 -27.64 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 55.34 111.112 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.19 -24.11 22.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 64.34 110.898 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.591 HG23 HD21 ' A' ' 91' ' ' LEU . 5.1 p -90.05 -27.86 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.14 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.404 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 11.9 mm -90.79 -26.28 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.121 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mm-40 -52.36 -59.98 7.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 71.12 110.856 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.83 ' HG3' HD13 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.78 -21.66 33.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.249 . . . . 61.12 112.359 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -66.86 -33.28 75.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 62.32 110.884 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -54.54 -61.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.917 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -25.15 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.879 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.46 -24.47 36.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.52 110.876 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 67' ' ' THR . 0.1 OUTLIER -55.63 -34.71 65.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 61.41 110.85 -179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.36 -21.0 62.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 52.23 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.591 HD22 ' HD3' ' A' ' 80' ' ' LYS . 29.6 mt -74.96 -47.57 28.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 71.22 110.89 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 64' ' ' SER . 9.2 t -65.19 -14.29 60.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.21 111.137 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.94 -13.65 33.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 65.14 112.42 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -21.37 21.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 74.22 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.719 HG21 ' HG2' ' A' ' 81' ' ' MET . 3.0 t -86.68 -31.84 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 52.31 111.123 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CB ' HD12 ' A' ' 16' ' ' LEU . 12.3 m-85 -92.24 0.97 57.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -104.98 -64.16 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.928 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -151.8 71.62 8.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.664 0.745 . . . . 73.43 110.874 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.29 17.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 63.44 112.352 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.4 43.46 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 64.25 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.87 164.8 0.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 71.15 110.88 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -14.72 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 64.02 110.863 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.43 44.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.479 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' HG22 ' A' ' 82' ' ' THR . 4.2 mm-40 -57.19 -59.52 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.966 0.412 . . . . 44.5 110.897 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.591 ' HD3' HD22 ' A' ' 66' ' ' LEU . 1.6 mmtt -81.02 -19.98 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 61.22 110.901 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.719 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.2 mtt -71.15 -50.98 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.846 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 79' ' ' GLU . 6.5 t -55.35 -28.19 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.24 111.145 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 87' ' ' VAL . 56.4 mt-10 -88.01 -19.98 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 62.22 110.908 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.11 -21.01 31.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.853 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -82.64 -50.22 8.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.936 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.7 t -62.11 -17.97 59.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.907 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 83' ' ' GLU . 3.1 t -72.93 -31.79 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 74.42 111.155 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.7 mt -81.99 -34.89 29.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 61.51 110.929 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 92' ' ' THR . 0.0 OUTLIER -77.73 -35.67 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.888 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -80.72 -19.96 43.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.83 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.9 tp -72.98 -47.93 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.922 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.2 t -53.95 -26.88 27.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 72.32 111.147 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.52 -27.15 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 72.1 110.877 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -28.8 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.933 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 39.0 tp -83.25 -48.58 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 70.43 110.931 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -57.63 -26.54 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.931 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -12.94 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 63.05 110.894 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.658 HD13 ' CE2' ' A' ' 51' ' ' TYR . 1.8 tp -52.0 -24.38 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.165 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.87 -19.46 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 71.03 111.156 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -85.32 -20.03 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.857 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.638 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -103.65 -55.47 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 55.25 110.928 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.638 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.05 81.47 26.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 74.34 111.089 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -3.44 12.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 63.3 112.375 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -35.38 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 69.8 p -90.6 -15.39 30.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.45 111.201 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.9 t -52.81 -23.96 7.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.461 . . . . 64.44 110.885 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.07 -18.42 34.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 73.55 110.853 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.506 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.87 -14.27 56.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 63.32 111.079 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.57 -57.49 8.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 73.32 111.154 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.4 Cg_endo -69.68 -14.12 35.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.715 2.277 . . . . 72.55 112.358 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.962 HD13 HG23 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -84.35 -61.3 1.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.918 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 108' ' ' ALA . 1.4 tt -77.21 -22.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 73.4 111.103 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.18 -26.86 13.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 35.23 112.479 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.28 -31.83 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 75.44 110.864 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.491 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 4.7 m-85 -85.37 -34.25 21.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 74.03 110.946 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 73.33 110.875 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -28.14 65.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 64.04 110.931 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -60.26 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.03 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.565 HG23 HD11 ' A' ' 26' ' ' ILE . 2.3 m -66.54 -39.95 88.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.145 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -56.12 -25.76 47.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 70.12 110.92 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.88 -22.49 27.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.816 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.15 -27.23 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.898 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 119' ' ' THR . 59.1 t -56.15 -24.92 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.109 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.13 -20.0 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.9 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -43.78 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 74.15 110.872 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.744 ' HA ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -58.61 -41.08 85.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 61.43 110.836 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.3 pt -77.26 -24.38 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 62.34 111.134 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -74.5 -44.25 52.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.881 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.49 HD12 ' CG2' ' A' ' 19' ' ' VAL . 38.0 mt -58.37 -45.0 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.141 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.566 HG21 HG12 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -78.9 -22.53 45.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.175 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.08 -18.55 47.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.869 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.09 -20.47 38.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 51.53 110.87 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -74.03 -20.0 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.4 111.191 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.03 -23.82 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.35 111.165 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.89 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.641 ' HB3' HD13 ' A' ' 12' ' ' ILE . 4.0 m170 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.82 0.343 . . . . 73.31 110.824 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -173.34 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 51.11 111.11 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 16.3 mmt -80.43 -44.58 19.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -90.25 -18.96 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 71.34 111.163 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.641 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.5 OUTLIER -83.45 -28.5 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.22 111.172 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -83.93 -20.51 32.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.889 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.44 -41.9 31.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.858 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.744 HG21 HG21 ' A' ' 129' ' ' ILE . 7.1 mm -56.1 -25.0 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 51.31 111.132 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -54.71 -42.54 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.914 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' N ' HD23 ' A' ' 16' ' ' LEU . 21.7 mttt -61.51 -18.81 60.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.21 110.895 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 t -77.17 -39.04 50.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 63.3 110.857 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.09 -28.18 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 41.35 111.191 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.89 -18.95 45.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 60.01 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.11 -49.68 48.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -38.74 72.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 64.22 110.913 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.3 mt -51.73 -41.7 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 64.44 111.166 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.0 -21.01 40.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 54.11 110.892 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -59.02 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.862 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 tt -86.04 -19.99 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.1 111.12 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.41 -24.63 76.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 64.03 112.441 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -91.99 -31.54 15.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.286 . . . . 72.12 111.129 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -70.23 -17.96 63.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.901 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.77 -24.13 44.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 72.25 110.83 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -71.19 -20.92 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.2 111.111 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -87.69 -55.5 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.25 110.919 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.26 -26.29 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 73.35 111.074 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.42 -40.4 91.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 60.33 112.492 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.43 -21.86 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 75.4 110.851 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.69 -35.39 45.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.446 HG12 HD12 ' A' ' 111' ' ' LEU . 1.1 mp -76.32 -50.41 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 71.45 111.176 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -55.83 -56.42 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 60.43 110.856 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mp -51.33 -36.65 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 44.14 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.56 -41.49 88.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 23.43 110.854 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.18 -40.51 67.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.936 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -179.53 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.861 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.15 16.66 49.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 34.52 112.527 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -101.49 -174.48 28.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.738 . . . . 55.23 112.454 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.08 163.05 10.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 75.51 112.494 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.83 -61.25 7.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 72.44 112.527 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.34 -171.88 48.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 53.02 112.477 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.27 -178.35 19.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 71.44 112.47 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -10.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 63.44 112.327 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.16 -27.16 39.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 61.1 110.899 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.92 -36.99 85.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 61.11 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.31 -52.03 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.886 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.23 -32.15 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 75.11 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -72.98 -36.49 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.14 111.095 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -85.04 -24.53 28.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.11 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.48 -45.14 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 44.1 111.118 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.4 mm -75.12 -22.7 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 53.3 111.104 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.3 mt-10 -51.41 -60.51 5.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 71.5 110.907 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.811 ' HG3' HD13 ' A' ' 91' ' ' LEU . 54.2 Cg_endo -69.79 -26.41 27.46 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.68 2.253 . . . . 72.54 112.354 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -32.71 74.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.878 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -53.04 -57.12 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 65.31 110.859 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -25.49 41.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.904 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.46 -24.88 31.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 64.43 110.882 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -39.27 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.868 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.87 -24.76 58.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 71.2 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.85 -34.31 76.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 m -62.65 -19.26 63.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.35 111.129 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.53 -13.84 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 62.42 112.477 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.802 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.7 tp -91.05 -9.12 46.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.846 0.355 . . . . 71.01 110.895 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.589 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.06 -31.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 63.21 111.086 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -98.07 1.17 47.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.53 110.918 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -123.09 -58.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.909 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.76 73.53 2.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.716 . . . . 72.04 110.929 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.17 17.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.7 2.267 . . . . 73.14 112.349 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 m -104.19 -15.81 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.119 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.96 -170.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 50.41 110.883 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.7 p -63.28 -16.52 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 70.32 110.839 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.85 37.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 65.53 112.469 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.89 -52.37 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 63.51 110.906 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.802 ' HD2' HD23 ' A' ' 69' ' ' LEU . 1.8 mmtt -81.01 -20.02 42.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 50.03 110.89 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.589 ' HG2' HG21 ' A' ' 70' ' ' VAL . 17.1 mtt -78.62 -51.88 9.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.896 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 t -51.93 -29.6 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 64.53 111.089 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 87' ' ' VAL . 19.2 tt0 -85.83 -30.17 23.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 64.43 110.908 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -26.0 50.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 64.43 110.895 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.77 -37.68 29.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 64.43 110.883 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -17.98 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.897 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 83' ' ' GLU . 4.9 t -72.9 -27.99 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.52 111.134 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.5 mt -86.03 -35.5 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 64.01 110.912 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.49 ' O ' HG22 ' A' ' 92' ' ' THR . 4.2 tppt? -77.5 -35.68 53.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.9 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 56.7 m -80.74 -19.94 43.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.877 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.811 HD13 ' HG3' ' A' ' 59' ' ' PRO . 2.0 tp -73.09 -47.47 44.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 52.43 110.894 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.1 t -53.73 -27.4 28.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.179 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -31.01 61.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.878 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -23.06 32.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.05 110.882 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.5 tp -83.11 -39.97 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.947 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -66.51 -30.45 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.897 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -12.2 61.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.907 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 tp -51.73 -23.58 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 74.51 111.168 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.43 -19.88 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 63.25 111.115 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.75 -19.83 32.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 61.21 110.888 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.644 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.65 -55.33 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.929 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.94 80.94 28.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.626 0.726 . . . . 75.14 111.179 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -3.37 11.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.735 2.29 . . . . 65.43 112.331 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -35.43 75.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 65.51 110.885 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.5 p -90.77 -15.52 30.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.167 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.3 t -55.09 -22.17 15.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.14 110.848 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.14 -18.32 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 24.45 110.862 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.9 -14.26 56.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 52.53 111.094 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.535 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.61 -57.5 8.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.655 0.74 . . . . 75.34 111.13 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.81 -13.97 35.26 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.663 2.242 . . . . 74.43 112.332 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.446 HD12 HG12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.41 -61.28 1.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 73.32 110.897 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 108' ' ' ALA . 1.4 tt -77.18 -22.15 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.51 111.103 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.79 -27.47 13.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 44.31 112.501 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -61.62 -34.81 76.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.805 0.336 . . . . 70.23 110.942 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.37 -33.11 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.965 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -65.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 74.35 110.912 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.47 -25.01 61.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 72.42 110.874 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -59.57 5.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.863 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.0 p -64.87 -37.07 86.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.143 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.97 -39.92 63.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.863 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.33 -17.25 46.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.911 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.07 -50.64 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.24 110.888 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.81 -25.3 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 64.42 111.095 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.422 ' O ' HD12 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -61.58 -20.64 63.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.94 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -28.11 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 53.33 110.892 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.48 ' HA ' HG21 ' A' ' 19' ' ' VAL . 21.6 m -52.1 -36.34 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 70.04 110.83 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -83.94 -37.73 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 72.11 111.155 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -40.57 64.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.911 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.744 HG21 HG21 ' A' ' 15' ' ' ILE . 58.5 mt -67.52 -55.89 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 65.13 111.196 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.546 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -59.44 -22.5 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.167 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.06 -18.61 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.15 110.862 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -20.18 35.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.891 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -74.89 -19.69 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 74.11 111.124 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -63.78 -22.94 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.112 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 61.21 110.875 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.9 m80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 62.45 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.52 -46.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 54.44 111.088 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -32.27 47.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.857 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.71 -19.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 75.43 111.089 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -28.61 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.106 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -63.76 -30.82 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.894 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -29.14 42.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 55.1 110.927 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 mm -56.11 -24.96 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.598 HD13 ' CD1' ' A' ' 71' ' ' PHE . 45.7 tp -55.39 -33.57 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 45.25 110.955 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -18.95 61.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 51.22 110.904 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.4 t -77.97 -38.13 45.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.896 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.732 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.04 -28.31 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.132 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.435 ' CE2' HG21 ' A' ' 67' ' ' THR . 0.1 OUTLIER -80.91 -18.97 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.892 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -72.65 -47.81 44.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.844 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -37.27 70.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.01 110.882 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.0 mt -51.75 -40.52 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.136 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.09 -20.95 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 61.41 110.85 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -69.87 -59.06 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.868 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tp -70.52 -20.02 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 54.03 111.094 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.02 -15.99 79.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 73.11 112.559 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.2 m -90.71 -21.02 21.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 74.2 111.108 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -84.09 -31.82 25.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 72.44 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -17.98 65.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 50.02 110.88 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.18 -20.48 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.121 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -86.8 -55.44 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 73.42 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.17 -22.45 28.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 63.12 111.082 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.74 -40.47 31.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.469 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.473 ' O ' HD23 ' A' ' 39' ' ' LEU . 26.3 mmm-85 -88.67 -20.14 25.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 73.21 110.899 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -80.36 -38.16 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 72.1 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.67 -48.83 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.134 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.04 -59.17 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.882 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.61 -33.86 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.908 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t -59.49 -42.01 91.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.1 110.881 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 108' ' ' ALA . 6.3 mt-30 -82.62 -44.34 15.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.868 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.85 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.875 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.23 11.78 59.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 74.22 112.473 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.49 -157.51 8.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.745 . . . . 73.02 112.459 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.34 110.14 2.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 63.42 112.524 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.21 -132.71 37.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.74 . . . . 72.3 112.452 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.21 158.94 3.03 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.696 -0.764 . . . . 52.33 112.47 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.92 -165.26 30.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 70.23 112.516 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -9.79 26.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.221 . . . . 73.31 112.358 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.04 -30.75 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.91 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -72.98 -34.27 66.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.96 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -39.6 93.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 61.13 110.887 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -26.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.25 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t -77.1 -31.43 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 75.1 111.095 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.24 -24.66 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 63.1 110.855 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -86.09 -45.34 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 63.24 111.135 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.5 mm -74.59 -22.65 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 73.01 111.105 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.9 mt-10 -52.01 -60.73 5.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.697 0.76 . . . . 72.25 110.87 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.667 ' HG3' HD13 ' A' ' 91' ' ' LEU . 53.1 Cg_endo -69.8 -24.87 29.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 73.33 112.337 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -31.18 71.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 53.12 110.945 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -60.89 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 53.43 110.89 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -55.9 -25.45 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.51 110.91 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.54 -24.68 33.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -37.24 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.835 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.03 -21.61 40.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.889 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.01 -36.01 74.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.894 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.453 HG22 HD11 ' A' ' 16' ' ' LEU . 10.4 m -62.63 -18.79 62.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 71.35 111.134 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.01 -13.85 35.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 62.42 112.446 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.705 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.5 tp -91.06 -8.79 47.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 74.53 110.89 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.408 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.07 -31.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 51.12 111.109 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CD1' HD13 ' A' ' 16' ' ' LEU . 25.8 m-85 -97.8 1.17 48.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 65.01 110.866 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -118.82 -60.35 1.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.906 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 mt -142.24 75.13 20.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 74.01 110.901 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.36 17.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 72.11 112.352 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.9 m -57.67 -22.6 46.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 61.33 111.15 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -176.16 -172.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.21 110.873 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.0 p -62.44 -17.22 58.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 64.04 110.861 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.77 29.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 65.32 112.46 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.61 -44.35 13.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 75.01 110.9 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.705 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -81.05 -33.43 33.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.912 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.489 ' SD ' HG23 ' A' ' 127' ' ' ILE . 17.4 mtt -69.46 -52.09 29.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 71.2 110.916 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 t -53.37 -28.88 31.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.145 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 87' ' ' VAL . 10.4 tt0 -79.32 -30.48 42.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.891 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -21.0 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.822 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -41.07 20.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.911 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -62.1 -17.98 59.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.884 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 83' ' ' GLU . 58.2 t -65.39 -26.35 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 60.42 111.112 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.99 -34.55 20.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.926 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 92' ' ' THR . 2.9 ttmt -77.43 -35.9 53.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 51.43 110.894 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.7 m -80.18 -19.92 45.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 63.42 110.873 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.667 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.6 tp -73.18 -48.3 36.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 72.1 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.42 -27.47 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.45 111.168 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -30.42 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 50.43 110.858 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -23.18 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.904 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.0 tp -83.11 -51.89 7.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 65.21 110.958 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -57.74 -26.71 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.931 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -12.93 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.85 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' A' ' 51' ' ' TYR . 1.6 tp -51.94 -24.31 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 64.04 111.126 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.607 HG22 ' HB2' ' A' ' 106' ' ' SER . 40.3 t -57.73 -19.71 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 71.23 111.137 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -84.88 -19.75 31.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 64.44 110.899 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.651 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.85 -55.43 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 71.54 110.933 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.651 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.03 81.36 27.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 61.32 111.138 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -3.55 12.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 65.42 112.308 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -35.54 75.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.882 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.71 -15.48 30.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 71.42 111.12 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.607 ' HB2' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -52.79 -24.04 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 71.04 110.835 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -59.14 -18.42 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 74.52 110.816 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.05 -14.16 56.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.33 111.115 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.51 -57.46 8.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 53.53 111.125 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.3 Cg_endo -69.73 -14.16 35.78 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.7 2.267 . . . . 73.21 112.363 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -61.36 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 65.11 110.914 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 108' ' ' ALA . 9.7 tt -76.95 -21.99 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.23 111.126 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.99 -26.9 12.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.658 -0.782 . . . . 45.42 112.491 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.54 -32.88 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.342 . . . . 74.05 110.89 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 47.0 m-85 -85.42 -32.54 22.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 63.13 110.852 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mtp -51.78 -65.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 75.41 110.88 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.12 -24.89 67.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 70.14 110.932 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.96 -62.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.55 110.858 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 123' ' ' VAL . 16.9 p -67.32 -38.07 84.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 75.21 111.173 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -54.55 -27.86 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.09 -26.45 28.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 72.35 110.88 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -84.53 -26.34 28.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 73.35 110.855 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 119' ' ' THR . 94.2 t -56.09 -25.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 73.11 111.095 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -60.99 -24.68 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 65.53 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.3 t -53.43 -34.91 59.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 65.11 110.858 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.732 ' HA ' HG21 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -52.01 -51.16 59.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.88 -179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.489 HG23 ' SD ' ' A' ' 81' ' ' MET . 1.8 mp -83.98 -24.03 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 64.24 111.155 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -33.07 69.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 65.44 110.956 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.16 -57.41 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 70.24 111.139 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 134' ' ' ILE . 1.3 p -58.0 -22.53 50.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.24 111.151 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.05 -18.47 46.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 65.13 110.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.59 -25.59 28.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -25.18 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 62.4 111.118 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 130' ' ' THR . 1.4 pp -68.49 -22.56 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.123 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 71.01 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.791 0.329 . . . . 75.11 110.865 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.98 176.84 11.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 62.02 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -125.98 -63.31 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 72.01 110.847 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 t60 56.57 91.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 74.15 110.83 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -73.32 98.57 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.3 110.846 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.03 -170.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.84 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -53.3 162.43 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.703 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -109.94 106.36 15.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.32 110.858 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.518 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.93 -47.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.44 111.103 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.1 -44.47 19.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.923 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.3 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.2 111.105 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.703 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.4 -28.54 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 64.1 111.148 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.79 -19.02 59.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 65.13 110.864 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -79.59 -36.83 37.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.865 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -56.05 -25.03 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 71.33 111.13 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -52.26 -52.23 53.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 72.01 110.913 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -61.4 -18.95 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.939 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -38.86 50.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.885 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.666 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -87.99 -28.1 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 70.3 111.124 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.586 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.86 -18.89 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 74.54 110.822 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -72.3 -57.91 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 71.14 110.905 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -39.43 71.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.87 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 20' ' ' PHE . 53.2 mt -51.98 -33.72 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 51.41 111.118 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.2 m -81.07 -29.02 35.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.838 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.51 -59.08 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 61.34 110.896 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 tt -86.08 -19.94 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.21 111.107 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.72 -43.53 18.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 65.45 112.45 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.3 m -73.62 -29.93 62.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 71.05 111.127 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.35 -30.98 70.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -18.67 63.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.859 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.67 -20.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 73.52 111.122 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.19 -59.18 2.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 60.33 110.863 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.82 -22.08 33.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 74.2 111.092 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.76 -38.94 26.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 61.31 112.447 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.53 -23.56 23.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 64.31 110.827 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.02 -38.91 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 64.54 110.939 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.998 HG23 HD13 ' A' ' 111' ' ' LEU . 1.3 mp -74.47 -41.4 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.04 111.114 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.11 -59.26 5.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.42 110.9 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.8 mm? -51.09 -33.15 24.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t -59.8 -41.25 90.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.896 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.536 ' OE1' ' HB2' ' A' ' 108' ' ' ALA . 3.5 mt-30 -84.17 -44.05 14.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 75.21 110.905 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.85 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.02 19.51 56.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 64.32 112.473 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.11 -105.43 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 45.55 112.538 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.84 -144.3 17.13 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 73.1 112.519 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.21 -27.8 24.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 72.24 112.502 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.9 -140.29 3.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 72.22 112.46 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.54 -165.11 24.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 63.35 112.441 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -9.7 26.72 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 75.42 112.329 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.27 -22.21 59.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 65.01 110.952 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -22.91 61.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 73.45 110.973 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.484 ' HD2' HG23 ' A' ' 53' ' ' VAL . 1.3 t80 -80.48 -35.5 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.01 110.835 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.484 HG23 ' HD2' ' A' ' 52' ' ' PHE . 54.6 t -88.21 -27.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.32 111.16 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 t -75.66 -34.07 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 64.11 111.148 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.491 ' OD1' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -86.07 -24.55 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 61.2 110.917 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.7 t -86.26 -42.15 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 74.4 111.082 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.9 mm -78.44 -23.66 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 64.34 111.101 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.532 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.5 tt0 -51.06 -58.53 10.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.671 0.748 . . . . 64.45 110.909 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.75 -29.93 23.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.267 . . . . 72.52 112.335 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.3 m -64.19 -37.24 86.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -58.78 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 64.12 110.917 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -25.69 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.33 110.94 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.463 ' HA ' HD12 ' A' ' 66' ' ' LEU . 2.2 t80 -83.28 -24.85 32.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 65.31 110.898 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -37.62 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 72.22 110.82 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -80.5 -22.22 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 65.24 110.922 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.695 HD13 ' OG ' ' A' ' 84' ' ' SER . 96.4 mt -71.7 -42.02 67.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 62.33 110.951 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 20' ' ' PHE . 12.4 m -62.45 -17.98 60.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.154 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.85 -12.74 42.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 63.13 112.457 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.794 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.9 tp -91.03 -8.41 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 70.4 110.864 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.648 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.6 t -95.1 -31.56 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 64.23 111.081 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.12 1.14 44.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.814 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -123.21 -57.72 1.67 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 70.31 110.917 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.0 tp -114.22 72.41 2.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 71.14 110.941 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 128.93 16.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 54.34 112.374 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.4 m -100.49 -15.79 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.54 111.159 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.12 -170.52 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 65.43 110.882 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -16.59 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.903 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.96 38.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.5 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.05 -68.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 64.42 110.902 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.794 ' HD2' HD23 ' A' ' 69' ' ' LEU . 8.2 mmtt -56.21 -25.15 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 62.2 110.913 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.648 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.5 mtt -78.57 -61.03 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 74.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -57.5 -25.83 60.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 44.21 111.132 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.18 -31.57 38.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.1 110.9 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.695 ' OG ' HD13 ' A' ' 66' ' ' LEU . 69.3 m -85.06 -26.39 27.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.2 110.856 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -35.05 79.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 75.5 110.907 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -17.93 59.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.877 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -80.42 -28.45 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 72.55 111.137 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.66 -36.78 79.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.921 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.469 ' O ' HG22 ' A' ' 92' ' ' THR . 2.2 mtpt -79.9 -33.76 39.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.44 110.891 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -81.12 -19.91 42.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 42.44 110.831 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.531 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.4 tp -70.12 -46.17 65.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.0 t -53.51 -27.17 24.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 72.35 111.177 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -27.0 37.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.903 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -27.98 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 74.22 110.898 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.491 HD13 ' OD1' ' A' ' 55' ' ' ASN . 14.8 tp -83.18 -39.52 20.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.903 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.405 ' O ' HG23 ' A' ' 99' ' ' VAL . 59.0 mttm -66.45 -30.43 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 72.52 110.876 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -12.21 61.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.921 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -51.78 -23.75 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.102 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.493 HG22 ' HB2' ' A' ' 106' ' ' SER . 40.4 t -57.53 -19.82 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 64.22 111.151 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.69 -19.96 31.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 65.05 110.842 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -103.59 -55.52 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.871 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.03 81.29 27.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.668 0.747 . . . . 53.03 111.156 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -3.97 13.05 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 74.45 112.398 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -35.7 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.876 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.3 p -90.91 -15.41 29.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.23 111.142 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.493 ' HB2' HG22 ' A' ' 99' ' ' VAL . 1.3 t -52.72 -24.36 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 73.33 110.829 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.15 -18.51 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 54.31 110.866 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.536 ' HB2' ' OE1' ' A' ' 41' ' ' GLN . . . -82.25 -14.02 56.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.069 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.535 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.32 -57.44 8.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 64.21 111.115 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.79 -14.39 35.92 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.27 . . . . 72.22 112.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.998 HD13 HG23 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -84.34 -61.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 62.3 110.942 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 108' ' ' ALA . 11.3 tt -76.6 -21.99 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 43.1 111.182 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.21 -27.02 14.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 53.4 112.471 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -60.96 -31.7 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.336 . . . . 60.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -85.2 -31.49 23.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 72.03 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 74.41 110.853 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -29.13 65.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 65.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -62.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.864 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.6 m -65.17 -36.46 84.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 70.42 111.111 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.556 ' O ' HG12 ' A' ' 123' ' ' VAL . 0.0 OUTLIER -54.62 -33.81 61.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 75.45 110.897 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.94 -17.31 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 64.32 110.915 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -86.0 -36.1 19.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 70.32 110.886 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 120' ' ' LYS . 13.0 p -57.73 -22.95 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 70.12 111.125 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -59.28 -21.63 59.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -30.0 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.04 110.855 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.8 p -52.12 -50.4 61.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 72.13 110.888 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 127' ' ' ILE . 2.8 mp -78.16 -24.01 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.25 111.157 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -51.02 63.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 75.51 110.902 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.666 HD12 HG23 ' A' ' 19' ' ' VAL . 28.6 mt -60.36 -49.64 83.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 73.51 111.115 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.466 HG21 ' HE3' ' A' ' 81' ' ' MET . 0.1 OUTLIER -58.47 -22.49 54.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 73.23 111.171 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.613 ' O ' HG22 ' A' ' 134' ' ' ILE . 0.3 OUTLIER -59.92 -18.73 47.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.932 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -84.75 -33.4 23.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 74.4 110.92 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.1 -21.46 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 75.35 111.146 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 131' ' ' GLU . 1.1 tt -52.8 -28.16 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -49.71 -36.1 24.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.21 110.877 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -42.52 8.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 74.34 111.135 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -55.52 -53.89 50.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.41 110.833 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -53.46 -53.48 50.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 73.3 110.889 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 63.4 110.9 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.776 0.322 . . . . 74.33 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.96 -59.53 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 54.12 111.127 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -135.94 165.02 26.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -144.09 -43.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 62.34 110.857 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -97.04 94.13 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.846 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.95 -173.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 72.23 110.888 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -57.2 175.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.846 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.724 ' HB3' HD13 ' A' ' 12' ' ' ILE . 1.3 m80 -90.58 106.06 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 75.14 110.86 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.29 -47.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 74.21 111.094 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.6 mmt -80.24 -44.51 19.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 52.02 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.34 -18.95 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 73.31 111.121 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.724 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.48 -28.41 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 65.43 111.138 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -86.07 -19.67 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 52.35 110.816 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -82.43 -49.63 9.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.13 110.85 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.63 -25.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.117 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.601 HD13 ' CD1' ' A' ' 71' ' ' PHE . 4.6 tp -52.28 -52.03 55.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 53.45 110.932 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -61.79 -18.96 61.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 60.42 110.864 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.91 -38.22 46.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 65.34 110.846 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.886 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -87.97 -28.16 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.51 111.096 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.95 -18.91 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 73.45 110.871 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.49 -44.52 57.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.865 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -40.59 86.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 71.1 110.899 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 20' ' ' PHE . 23.0 mt -51.76 -36.74 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 42.43 111.126 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.449 ' O ' HG23 ' A' ' 28' ' ' THR . 1.6 m -81.0 -26.19 36.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.909 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -59.05 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.893 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.6 tt -81.9 -19.97 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.34 111.128 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.732 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -73.51 -46.95 23.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 70.33 112.53 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 24' ' ' CYS . 17.1 p -51.99 -42.2 62.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 62.35 111.149 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.97 -24.56 58.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 60.02 110.911 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.02 -20.43 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.808 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 27' ' ' GLY . 59.3 t -66.31 -20.56 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.072 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.61 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.34 -23.19 35.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.21 111.091 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -73.75 -40.73 44.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 75.04 112.479 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.488 ' O ' HD13 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.79 -22.35 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 62.32 110.87 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mp -78.19 -36.05 47.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.883 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.781 HG23 HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -72.82 -39.38 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 75.3 111.124 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -45.92 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 63.35 110.89 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 35' ' ' ARG . 1.7 mp -51.66 -45.17 63.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 75.31 110.946 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.68 -35.73 63.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.874 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 36.6 mm-40 -61.82 -36.44 81.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.855 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -179.56 -34.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.48 16.27 49.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 65.22 112.471 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.51 -62.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 53.42 112.516 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.6 -133.28 49.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 64.21 112.502 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.15 -80.13 1.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 53.41 112.476 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.39 -139.49 3.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 15.4 112.469 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.49 -179.16 42.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 75.43 112.45 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -10.82 29.48 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.662 2.241 . . . . 74.04 112.353 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.502 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.31 -21.93 42.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 65.35 110.918 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -32.08 49.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.971 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' HD2' HG13 ' A' ' 53' ' ' VAL . 12.1 t80 -63.62 -56.42 15.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 74.4 110.928 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.496 HG13 ' HD2' ' A' ' 52' ' ' PHE . 14.5 m -67.8 -31.92 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 51.43 111.139 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.79 -35.21 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 64.21 111.1 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -86.77 -24.61 25.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.839 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.6 t -85.56 -45.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 44.03 111.134 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.11 -22.65 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 62.21 111.144 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.43 -60.76 5.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 62.12 110.863 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.4 Cg_endo -69.74 -29.81 23.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.687 2.258 . . . . 62.04 112.33 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -28.37 68.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 71.01 110.937 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -57.16 -56.65 19.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -26.88 41.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 71.14 110.894 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.56 ' HB2' HG11 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -85.0 -25.03 27.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 71.2 110.869 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.2 m -56.04 -41.29 74.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 72.11 110.86 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -57.03 -28.6 62.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 53.12 110.879 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.732 HD13 ' HA ' ' A' ' 84' ' ' SER . 19.9 mt -71.09 -40.64 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 60.14 110.925 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -62.48 -20.02 64.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 64.42 111.153 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.55 -13.83 36.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 62.13 112.426 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.4 tp -91.09 -7.88 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 72.32 110.952 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.4 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.07 -31.63 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 72.21 111.111 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.601 ' CD1' HD13 ' A' ' 16' ' ' LEU . 55.2 m-85 -98.76 1.14 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 72.24 110.84 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -118.54 -59.47 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.941 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 tp -142.94 75.13 17.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 72.13 110.951 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 129.28 17.38 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.692 2.261 . . . . 74.45 112.365 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -58.67 -21.38 54.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 72.11 111.14 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -176.55 -172.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.858 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.437 ' HB2' HG22 ' A' ' 134' ' ' ILE . 0.3 OUTLIER -62.35 -17.31 58.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 63.43 110.875 -179.788 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.92 29.91 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 65.13 112.494 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -84.75 -45.98 11.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.93 0.395 . . . . 73.21 110.882 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.681 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -78.06 -33.7 50.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 55.43 110.891 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.523 ' SD ' HG22 ' A' ' 127' ' ' ILE . 21.8 mtt -68.93 -55.42 11.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.849 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 t -52.59 -28.73 22.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 70.22 111.158 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.65 ' O ' HG23 ' A' ' 87' ' ' VAL . 29.4 mm-40 -78.29 -33.31 49.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 75.54 110.927 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.732 ' HA ' HD13 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -81.43 -26.08 35.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.51 110.824 -179.8 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -67.69 -49.07 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -62.2 -18.05 59.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.43 110.826 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 83' ' ' GLU . 84.3 t -75.16 -22.89 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 70.41 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.764 HD13 HG11 ' A' ' 123' ' ' VAL . 39.6 mt -69.88 -34.82 74.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.882 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -27.35 28.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 71.43 110.895 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.88 -19.89 28.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 61.42 110.848 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -71.87 -42.79 66.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 72.5 110.912 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 t -57.01 -23.66 47.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 65.24 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -37.64 50.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.855 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -34.15 76.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.87 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.44 -36.26 24.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 75.54 110.879 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -67.93 -32.52 73.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 70.41 110.897 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -12.35 61.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 75.14 110.905 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -23.78 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.138 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.59 -19.57 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 72.23 111.158 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.2 -20.04 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.843 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.646 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.63 -55.52 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 61.4 110.896 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.646 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.02 81.24 27.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 72.43 111.18 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.66 12.46 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.664 2.243 . . . . 71.14 112.38 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -35.52 74.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 53.52 110.868 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.6 p -90.78 -15.46 30.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.125 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.7 t -52.74 -24.17 8.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.32 110.886 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -59.27 -18.37 36.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 64.34 110.828 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.636 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -82.09 -14.08 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 60.44 111.09 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.46 8.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.648 0.737 . . . . 60.12 111.118 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.78 -14.27 35.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 74.32 112.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.781 HD13 HG23 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -84.37 -61.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.875 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' ' 34' ' ' GLY . 8.4 tt -76.65 -22.03 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.165 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.74 -27.49 13.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 61.13 112.474 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -61.84 -34.96 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 75.4 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -85.35 -29.03 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 64.1 110.941 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -65.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.875 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -28.52 64.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.872 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -43.34 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 73.41 110.902 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.9 m -80.35 -36.79 33.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 74.01 111.156 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.556 ' O ' HG12 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -56.6 -28.69 60.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.853 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.04 -16.94 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.912 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -85.98 -36.82 19.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 74.13 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 88' ' ' LEU . 13.5 p -56.32 -24.54 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 73.44 111.152 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.24 -21.64 59.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.901 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.1 m -58.95 -22.34 59.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 75.33 110.853 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.9 m -64.09 -56.56 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.33 110.824 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.523 HG22 ' SD ' ' A' ' 81' ' ' MET . 24.7 pt -66.25 -28.88 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 72.22 111.11 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -64.08 -46.05 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.894 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.886 HD12 HG23 ' A' ' 19' ' ' VAL . 20.3 mt -71.62 -54.47 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 72.44 111.14 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.551 ' O ' HG12 ' A' ' 133' ' ' VAL . 7.1 p -58.03 -22.53 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.22 111.133 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -18.61 47.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.85 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -82.85 -20.0 36.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.923 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -75.34 -20.22 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 64.44 111.124 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.437 HG22 ' HB2' ' A' ' 77' ' ' SER . 1.7 pp -57.32 -23.58 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.35 111.116 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -52.89 -29.31 27.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 62.51 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.98 -39.42 9.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 74.32 111.113 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -23.97 67.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 70.43 110.834 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -79.31 -46.21 18.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 62.21 110.835 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -58.66 -68.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 62.22 110.861 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.87 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.785 0.326 . . . . 55.21 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.37 -61.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 54.51 111.084 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 t60 62.54 168.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 61.12 110.86 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -78.77 -175.33 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 75.52 110.814 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -175.36 147.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 62.4 110.869 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -114.52 -21.98 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 65.53 110.859 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.13 -170.24 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.05 110.846 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.667 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -128.57 106.3 8.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 65.4 110.844 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.92 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 75.54 111.044 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.3 mmt -80.23 -44.57 19.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.876 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.31 -18.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 65.43 111.084 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.46 -28.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 70.33 111.096 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.7 -19.69 30.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 63.35 110.857 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.77 -41.31 19.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.86 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.477 HG21 HG21 ' A' ' 129' ' ' ILE . 3.5 mm -53.56 -27.89 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.3 111.179 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -54.81 -41.82 71.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 63.02 110.895 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -65.69 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.886 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -40.15 47.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 72.02 110.84 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -88.06 -27.69 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 53.14 111.159 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.658 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.6 t80 -80.9 -18.94 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.882 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.33 -50.42 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 75.44 110.868 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -35.74 80.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 63.22 110.883 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 20' ' ' PHE . 48.3 mt -52.18 -35.88 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.173 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.99 -25.93 36.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 64.34 110.855 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -77.56 -59.04 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.927 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -20.0 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.14 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -82.79 -29.69 34.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 63.15 112.497 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -92.0 -21.01 20.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 62.44 111.168 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.42 -46.6 31.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 70.22 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -61.23 -23.36 65.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.5 t -68.01 -20.49 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 64.44 111.161 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -86.2 -59.19 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.863 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.87 -22.15 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.02 111.088 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.707 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -77.65 -39.02 26.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 72.01 112.492 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.427 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.43 -23.54 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 73.44 110.868 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.03 -39.01 51.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 61.1 110.898 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.42 -40.55 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 72.31 111.148 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.04 -59.35 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.851 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.8 mm? -51.28 -33.42 28.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.927 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -56.25 -42.16 76.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 52.24 110.857 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.667 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 17.2 mt-30 -78.89 -43.19 25.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 52.13 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.65 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.896 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.19 27.65 24.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 64.23 112.474 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.92 -171.06 12.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 70.54 112.489 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.74 154.14 30.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 75.3 112.532 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 51.98 -136.15 34.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 61.04 112.497 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.38 -156.73 0.19 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 73.44 112.469 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.76 -179.54 19.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 54.13 112.496 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -10.73 29.34 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.642 2.228 . . . . 74.42 112.366 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.517 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.63 -25.9 41.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 71.24 110.971 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.625 ' HE2' HD12 ' A' ' 98' ' ' ILE . 1.4 t80 -69.77 -37.18 76.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 75.45 110.858 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' HD1' HD21 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -69.09 -31.02 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 74.0 110.871 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.517 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.8 t -88.13 -28.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 43.11 111.125 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 50' ' ' LEU . 19.6 t -80.82 -29.26 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.41 111.141 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.53 -24.69 23.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.911 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.587 ' HA ' HD11 ' A' ' 91' ' ' LEU . 4.9 p -89.11 -27.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 51.31 111.153 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.14 -26.1 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 70.24 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mt-10 -51.31 -60.13 6.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.604 0.716 . . . . 71.44 110.865 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.721 ' HG2' HD13 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.79 -33.65 16.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 72.23 112.345 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -63.29 -31.01 72.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -57.45 11.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.8 40.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 62.12 110.879 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -24.86 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 70.11 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -37.18 73.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 72.33 110.816 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.57 -22.07 54.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.25 110.907 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.1 mt -69.17 -34.55 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 71.43 110.899 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.0 m -62.57 -19.49 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 73.44 111.193 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.19 -14.31 33.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 50.04 112.524 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.7 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.4 tp -91.09 -8.59 48.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 75.22 110.91 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.421 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.08 -31.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.4 111.148 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.532 ' HB2' HD12 ' A' ' 16' ' ' LEU . 48.6 m-85 -97.89 1.19 47.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 72.3 110.89 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -118.74 -60.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 73.13 110.89 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.1 tp -142.66 74.93 18.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 71.22 110.871 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 129.34 17.49 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.258 . . . . 73.13 112.361 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.2 m -57.44 -22.95 46.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 62.31 111.123 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -176.16 -172.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 74.44 110.861 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.8 p -62.33 -17.3 58.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.0 110.913 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.24 30.13 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 62.41 112.431 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.47 -43.93 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 52.31 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.7 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -81.05 -33.9 33.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 54.41 110.878 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.421 ' HG2' HG21 ' A' ' 70' ' ' VAL . 11.3 mtt -69.39 -52.08 30.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.875 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -53.21 -28.84 28.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 42.54 111.118 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.6 tt0 -77.3 -32.15 55.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.908 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -21.04 29.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 64.23 110.885 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -73.95 -47.6 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 75.44 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -62.14 -17.97 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 65.41 110.838 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 83' ' ' GLU . 93.4 t -72.12 -22.97 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 63.13 111.124 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 123' ' ' VAL . 37.6 mt -83.71 -37.09 23.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.906 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 92' ' ' THR . 0.5 OUTLIER -79.92 -34.13 39.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 64.33 110.914 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.6 p -80.39 -19.97 45.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.871 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.721 HD13 ' HG2' ' A' ' 59' ' ' PRO . 1.5 tp -69.19 -45.58 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.936 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.0 t -53.46 -27.28 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.152 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -26.92 35.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 62.43 110.897 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -27.95 29.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.03 110.938 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.404 HD21 ' HD1' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -83.2 -33.45 26.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.906 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -64.05 -24.31 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.885 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -12.12 60.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 61.2 110.898 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.625 HD12 ' HE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -51.44 -23.89 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 75.52 111.106 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.37 -19.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.2 111.099 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.98 -20.35 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 55.14 110.879 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.633 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.63 -55.44 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 71.14 110.941 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.9 mp -137.92 82.01 26.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 75.21 111.142 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -3.27 11.68 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 64.22 112.321 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -11.58 60.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.894 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.7 p -79.95 -14.12 58.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 64.21 111.155 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -49.37 -26.66 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 65.24 110.842 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -43.4 70.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.878 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.667 ' HB2' ' CD ' ' A' ' 41' ' ' GLN . . . -85.37 -15.08 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 60.34 111.154 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.6 -56.99 9.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 74.15 111.131 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.8 -14.21 35.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 71.33 112.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -43.58 14.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 70.4 110.909 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.707 HD12 ' HA2' ' A' ' 34' ' ' GLY . 12.4 tt -89.06 -22.12 6.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.35 111.135 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.92 -27.23 12.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 55.41 112.467 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -61.2 -33.96 74.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 52.4 110.872 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -85.34 -35.63 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.958 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 71.53 110.879 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.35 -25.01 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.896 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -42.4 88.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.858 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 93.7 m -66.23 -50.2 64.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 42.51 111.143 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 123' ' ' VAL . 3.8 mptp? -56.53 -34.24 66.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.908 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.99 -17.04 36.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -85.97 -38.43 17.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 44.45 110.899 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 88' ' ' LEU . 7.7 p -57.65 -23.11 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 64.45 111.117 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -59.14 -21.69 59.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.891 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 m -60.25 -38.39 83.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 64.51 110.844 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.515 ' HA ' HG21 ' A' ' 19' ' ' VAL . 58.8 m -52.08 -35.96 49.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.834 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.9 mp -84.08 -34.57 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 60.12 111.12 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -51.35 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 61.34 110.897 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.477 HG21 HG21 ' A' ' 15' ' ' ILE . 95.3 mt -60.11 -54.17 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 55.24 111.121 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -22.56 59.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 73.23 111.142 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -60.16 -18.46 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -84.71 -19.87 32.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.903 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.556 HG21 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.56 -25.72 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 62.21 111.123 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.77 -22.89 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 72.31 111.127 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -83.01 -24.7 32.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.25 110.884 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.05 -44.02 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.11 111.129 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -60.96 -30.52 70.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -76.22 -51.87 11.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 73.13 110.821 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -52.03 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.4 110.884 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.85 -179.795 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.799 0.333 . . . . 73.04 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.75 111.3 20.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 63.02 111.104 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -118.36 -8.49 10.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.44 110.869 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.21 -175.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.864 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -58.45 105.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.81 -169.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 74.4 110.873 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.29 -170.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.845 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.685 ' HB3' HD13 ' A' ' 12' ' ' ILE . 6.5 m80 63.54 105.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.831 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -173.13 -47.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 70.01 111.125 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.38 -44.51 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.01 110.853 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.29 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 72.15 111.158 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.43 -28.54 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 51.43 111.108 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.77 -18.44 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.879 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.68 -39.29 31.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.9 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.92 -25.01 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.102 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -50.31 63.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 75.21 110.904 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -61.67 -18.92 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.882 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -38.44 47.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 63.11 110.861 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.997 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.08 -28.24 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 54.05 111.116 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.654 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.93 -18.89 45.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 75.41 110.871 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -71.89 -58.06 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.838 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -42.81 67.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.891 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 20' ' ' PHE . 68.4 mt -51.78 -35.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.44 111.117 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.418 ' O ' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -81.03 -27.22 35.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 63.44 110.832 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -66.12 -58.95 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tp -82.53 -19.92 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 64.12 111.097 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.476 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -76.2 -15.99 81.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 51.42 112.494 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 24' ' ' CYS . 2.7 p -86.47 -32.8 20.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 71.51 111.173 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -71.47 -39.99 70.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 53.41 110.869 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.2 t -60.13 -27.52 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.821 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 27' ' ' GLY . 12.3 t -66.59 -20.49 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 63.23 111.165 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -86.79 -55.7 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.45 110.829 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.14 -22.59 29.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 72.14 111.078 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.48 -40.67 32.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 63.12 112.449 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.485 ' O ' HD23 ' A' ' 39' ' ' LEU . 7.3 mmm180 -88.54 -20.35 25.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 72.2 110.876 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.11 -38.08 32.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.918 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.431 HG12 HD12 ' A' ' 111' ' ' LEU . 1.2 mp -73.67 -50.01 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 63.23 111.171 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.79 -59.15 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.883 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.43 -33.87 32.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 64.1 110.929 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -69.0 -43.44 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 55.12 110.84 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.43 -42.39 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 61.4 110.93 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -179.63 -34.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.59 16.69 61.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 43.54 112.49 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -128.59 -179.2 15.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 40.53 112.476 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.06 114.37 1.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 60.44 112.526 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.22 -120.78 11.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 43.44 112.481 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.29 -152.99 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.724 . . . . 53.54 112.517 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.14 -164.89 23.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 72.13 112.457 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.66 26.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.659 2.239 . . . . 74.34 112.353 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.3 -25.99 59.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -25.68 68.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 53.42 110.933 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -76.74 -53.67 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 75.03 110.849 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.2 m -68.05 -32.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.105 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 t -71.91 -39.22 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 62.21 111.157 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -82.33 -24.72 34.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 t -84.97 -45.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 72.42 111.108 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.6 mm -74.96 -22.63 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.101 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.0 mt-10 -50.91 -60.66 5.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 61.04 110.883 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.707 ' CG ' HD22 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.74 -33.07 17.39 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 63.23 112.335 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.58 -30.69 71.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.846 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -56.99 -59.34 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -25.73 41.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 65.15 110.958 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -24.9 31.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 63.3 110.854 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -36.55 74.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 75.44 110.845 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.38 -21.01 53.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.907 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.3 mt -71.28 -35.43 71.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 65.02 110.909 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 m -62.39 -20.87 64.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.45 111.147 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.58 -12.9 42.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 60.12 112.491 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' A' ' 80' ' ' LYS . 12.1 tp -91.09 -10.33 42.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 70.14 110.914 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.656 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.6 t -95.11 -31.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.125 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -97.32 1.09 49.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.903 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -123.52 -58.02 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 71.01 110.908 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.57 HD12 HD11 ' A' ' 69' ' ' LEU . 74.3 mt -113.67 73.87 2.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.722 . . . . 63.23 110.882 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.0 16.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 70.14 112.349 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.3 p -109.58 -13.16 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.121 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -177.33 -179.12 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.881 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 p -59.54 -21.04 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 62.14 110.834 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.52 40.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 74.22 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.507 ' O ' HG22 ' A' ' 82' ' ' THR . 1.8 mm-40 -72.29 -48.19 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 64.11 110.869 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.771 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -81.14 -19.87 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 44.52 110.912 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.656 ' HG2' HG21 ' A' ' 70' ' ' VAL . 15.0 mtt -78.35 -41.34 33.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.906 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.3 t -56.16 -26.07 49.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 51.15 111.135 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.671 ' O ' HG23 ' A' ' 87' ' ' VAL . 45.4 mm-40 -88.03 -19.97 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.919 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 m -77.11 -27.68 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 62.45 110.847 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -85.06 -37.04 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.917 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -62.19 -18.03 59.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.847 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 83' ' ' GLU . 66.1 t -71.45 -29.89 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.42 111.122 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.8 mt -86.0 -34.26 20.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 72.53 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.479 ' O ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -77.72 -35.57 51.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.904 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.9 t -81.03 -19.98 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 64.15 110.884 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.707 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.1 tp -73.52 -47.71 38.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 64.45 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.1 t -53.47 -27.69 26.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 61.23 111.138 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -37.84 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.5 110.916 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -83.64 -22.9 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 61.53 110.932 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.0 tp -77.12 -38.85 51.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 64.53 110.933 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -68.3 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.861 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -11.96 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.864 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -23.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 62.14 111.094 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.4 p -57.42 -19.83 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 72.41 111.152 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -19.87 31.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 52.51 110.936 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.636 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.58 -55.41 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.95 80.97 28.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 55.21 111.14 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -3.58 12.31 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.283 . . . . 65.43 112.297 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -35.62 75.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 72.45 110.862 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.85 -15.61 29.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 73.12 111.096 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -24.2 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 64.43 110.849 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -59.2 -18.42 36.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 54.12 110.851 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.06 -14.2 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 71.12 111.078 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.546 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.45 -57.52 8.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.633 0.73 . . . . 74.01 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.74 -14.22 35.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.623 2.215 . . . . 74.13 112.381 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.431 HD12 HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -84.3 -61.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 61.34 110.953 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 108' ' ' ALA . 12.9 tt -76.99 -21.91 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 72.23 111.154 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.99 -27.15 12.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 74.3 112.493 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -61.07 -33.47 73.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 72.33 110.879 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -85.34 -30.74 23.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.894 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 71.2 110.842 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -24.93 68.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 75.3 110.898 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -62.01 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 64.02 110.875 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 123' ' ' VAL . 76.7 p -65.28 -36.03 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 63.33 111.138 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -35.39 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 43.51 110.914 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 -21.17 41.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -85.97 -27.25 25.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.943 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 119' ' ' THR . 94.7 t -55.02 -26.23 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 73.43 111.121 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.551 ' HG2' HD11 ' A' ' 127' ' ' ILE . 1.4 mt-10 -60.6 -19.96 59.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 43.13 110.896 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 m -52.05 -31.51 30.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.859 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -53.39 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 73.01 110.829 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.551 HD11 ' HG2' ' A' ' 124' ' ' GLU . 33.0 pt -75.86 -28.57 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 70.54 111.109 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -66.75 -43.61 83.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.35 110.875 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.997 HD12 HG23 ' A' ' 19' ' ' VAL . 20.1 mt -69.54 -57.34 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 70.24 111.137 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.548 ' O ' HG12 ' A' ' 133' ' ' VAL . 8.9 p -58.05 -22.48 50.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.123 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -18.59 48.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 64.51 110.896 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -82.58 -21.13 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.65 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -74.4 -19.02 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 75.53 111.188 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -61.15 -23.3 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.24 111.153 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -52.84 -29.75 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 65.54 110.898 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.98 -42.95 9.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 53.22 111.134 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -53.91 -43.7 69.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 55.34 110.83 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -61.41 -54.1 47.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 65.33 110.841 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -53.68 -72.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.84 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 55.21 110.854 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mtm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.807 0.337 . . . . 71.3 110.871 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.12 100.84 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 52.4 111.117 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -140.17 113.37 8.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.83 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.55 179.96 8.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 62.21 110.844 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 63.12 60.54 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.93 106.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 61.05 110.849 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 60.22 98.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 74.14 110.823 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.689 ' HB3' HD13 ' A' ' 12' ' ' ILE . 59.0 m-70 -73.47 106.88 5.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.838 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.59 -47.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 62.44 111.097 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.8 mmt -80.22 -44.53 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 70.21 110.88 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.29 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 52.33 111.13 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.41 -28.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.45 111.127 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.77 -19.55 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.841 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -83.96 -41.48 17.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 65.21 110.808 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -53.12 -28.39 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 62.51 111.174 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 17' ' ' LYS . 1.1 tt -51.96 -48.6 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.921 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' N ' HD23 ' A' ' 16' ' ' LEU . 7.8 mttm -60.66 -29.29 69.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.899 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -38.6 90.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 65.14 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.54 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.11 -28.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 65.12 111.167 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.692 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.9 -18.95 45.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.55 110.876 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -73.17 -57.62 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.1 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -51.51 -41.1 60.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 20' ' ' PHE . 66.5 mt -54.22 -34.77 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 62.31 111.123 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 t -81.02 -20.99 40.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.875 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -58.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -83.61 -20.05 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.138 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.03 -26.18 71.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 61.11 112.464 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.6 m -91.93 -36.44 13.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.741 0.305 . . . . 61.45 111.146 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.53 -35.51 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 62.24 110.908 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.8 t -65.94 -17.99 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 62.4 110.852 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.57 -20.54 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.23 111.157 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.79 -55.53 3.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.898 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -22.64 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.088 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.681 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -75.64 -40.61 31.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 34.21 112.463 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.478 ' O ' HD23 ' A' ' 39' ' ' LEU . 7.3 mmm180 -88.53 -20.03 25.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 70.31 110.862 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.53 -38.17 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.947 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.69 -47.4 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.41 111.123 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -57.54 -59.25 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 70.21 110.928 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.67 -33.7 34.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 64.15 110.949 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -39.87 86.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 63.01 110.869 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.88 -41.92 15.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 63.13 110.883 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.4 -45.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.91 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.0 27.93 23.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.759 . . . . 74.54 112.526 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.68 175.96 37.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 73.01 112.455 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.584 ' HA3' HG21 ' A' ' 102' ' ' ILE . . . 134.29 156.5 7.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 70.43 112.505 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.2 -62.19 5.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 34.24 112.477 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.39 147.19 47.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 65.53 112.464 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.38 -179.58 50.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 34.14 112.47 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -10.89 29.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 61.25 112.349 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.49 -26.64 41.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 63.24 110.867 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.03 -38.28 90.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 71.33 110.947 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -30.46 71.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.34 110.865 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.541 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.3 t -88.71 -27.96 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 73.44 111.111 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.2 t -80.9 -28.41 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 50.25 111.155 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -88.8 -24.68 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.34 110.905 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -88.98 -28.09 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 75.31 111.129 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.3 mm -91.24 -25.94 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.153 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.31 -60.18 6.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 72.05 110.908 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.724 ' HG3' HD13 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.74 -33.83 15.86 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.695 2.263 . . . . 74.24 112.333 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.4 -30.32 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.883 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -56.57 -60.46 3.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -25.56 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 75.33 110.863 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -24.78 33.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.859 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -36.04 81.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 60.3 110.875 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.26 -21.17 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 62.21 110.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.39 -31.22 71.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.917 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 m -62.61 -21.16 65.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 42.45 111.136 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.46 -13.25 42.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 53.01 112.484 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.821 HD23 ' HD2' ' A' ' 80' ' ' LYS . 12.3 tp -91.08 -9.59 45.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 72.11 110.937 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.713 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.04 -31.68 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.138 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -97.86 1.15 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -123.08 -58.85 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.905 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 tp -113.62 74.03 2.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 75.54 110.891 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.08 16.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 72.54 112.33 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.1 p -108.94 -13.8 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.32 111.121 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -177.18 -179.31 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 74.24 110.837 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -59.6 -20.96 59.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 53.01 110.885 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -175.34 35.59 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 31.43 112.46 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.97 -47.04 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.931 0.396 . . . . 74.31 110.906 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.821 ' HD2' HD23 ' A' ' 69' ' ' LEU . 6.2 mmtp -81.02 -23.96 38.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.881 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.713 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.7 mtt -78.93 -48.85 13.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 62.44 110.875 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 t -55.27 -28.43 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 44.21 111.147 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.4 mm-40 -88.06 -19.95 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.97 -24.26 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.872 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -85.04 -36.96 20.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 62.43 110.863 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.1 t -62.15 -17.96 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 54.21 110.869 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' GLU . 15.8 t -72.14 -25.57 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 73.34 111.08 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.701 HD12 HG21 ' A' ' 123' ' ' VAL . 68.5 mt -85.97 -32.16 21.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.926 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -80.11 -33.94 38.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.88 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.4 t -81.05 -19.93 42.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 75.13 110.868 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.724 HD13 ' HG3' ' A' ' 59' ' ' PRO . 2.0 tp -71.77 -46.68 57.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 40.42 110.892 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.0 t -53.63 -27.38 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.163 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -30.35 59.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.891 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -23.01 32.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 71.53 110.901 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -32.44 30.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.907 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -68.79 -33.88 74.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 64.5 110.902 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -12.06 61.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.856 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 tp -51.83 -23.35 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.31 -19.83 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.31 111.093 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -20.08 31.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 60.32 110.866 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.64 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.64 -55.01 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.89 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.64 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.9 mp -137.79 81.0 29.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.74 . . . . 72.32 111.122 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -2.19 9.76 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 74.45 112.348 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 t -68.83 -12.21 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 61.24 110.859 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.4 p -90.16 -14.18 34.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 62.22 111.167 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.3 m -49.58 -26.36 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 73.52 110.877 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 m -70.1 -43.35 71.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 63.22 110.845 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -85.5 -15.09 43.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.54 111.126 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.74 -57.03 9.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 61.32 111.172 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.78 -13.63 34.89 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 42.23 112.371 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.22 -44.58 13.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.928 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.681 HD12 ' HA2' ' A' ' 34' ' ' GLY . 14.7 tt -89.09 -22.09 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 72.05 111.098 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.82 12.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 74.12 112.486 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -59.76 -31.09 69.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 75.13 110.897 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -85.42 -30.22 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.35 110.961 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -65.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 64.32 110.839 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.7 -28.26 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 71.22 110.942 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -59.84 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.871 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 123' ' ' VAL . 2.9 m -63.42 -38.28 90.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.187 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -23.07 67.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 61.1 110.881 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -84.74 -35.13 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.873 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.14 -21.62 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.926 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.701 HG21 HD12 ' A' ' 88' ' ' LEU . 88.8 t -60.14 -25.11 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 74.44 111.12 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.46 -25.65 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.906 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -33.73 70.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 72.15 110.823 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.54 ' HA ' HG21 ' A' ' 19' ' ' VAL . 3.6 m -59.47 -40.42 86.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.872 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.97 -32.08 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 74.21 111.104 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -42.94 99.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 72.44 110.869 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.523 HD12 HG23 ' A' ' 19' ' ' VAL . 59.6 mt -66.32 -43.52 91.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 51.1 111.127 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -22.57 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 75.41 111.168 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.2 -18.4 48.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 62.41 110.876 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -84.66 -19.9 32.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.558 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.48 -25.56 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 71.51 111.135 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.3 tp -78.17 -22.81 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 75.22 111.143 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -83.56 -22.85 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.906 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -34.46 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 63.14 111.126 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -69.68 -45.74 67.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 60.03 110.852 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -17.85 61.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.891 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -33.8 14.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.868 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.84 -179.79 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.773 0.321 . . . . 62.55 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.97 157.86 36.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 73.42 111.093 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -156.76 45.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 52.44 110.865 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.07 119.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.885 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.08 155.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.53 110.896 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -76.36 166.39 23.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.871 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 60.91 99.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.878 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.697 ' HB3' HD13 ' A' ' 12' ' ' ILE . 20.2 m170 -57.71 106.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.55 110.874 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.77 -47.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.11 111.097 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.23 -44.57 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.27 -18.95 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 75.22 111.143 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.697 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.41 -28.49 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 71.33 111.128 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -85.81 -26.33 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.861 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -48.44 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.839 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.14 -24.97 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.143 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.2 tp -53.7 -47.16 70.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 71.02 110.895 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -18.85 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.875 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -38.87 49.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 61.51 110.864 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.697 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.07 -28.23 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 63.33 111.141 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.86 -18.94 45.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.905 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -70.75 -57.0 5.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 62.3 110.891 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -46.06 64.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 62.44 110.903 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 20' ' ' PHE . 47.5 mt -51.91 -38.14 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.13 111.151 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -23.91 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 72.43 110.884 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -59.04 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.537 HD11 HG23 ' A' ' 119' ' ' THR . 1.7 pt -85.98 -20.07 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 52.53 111.101 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.32 -34.52 89.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 64.44 112.47 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 t -92.02 -29.09 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 74.24 111.133 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.63 -17.98 64.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 t -80.52 -17.96 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 63.1 110.86 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.75 -20.48 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.117 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.15 -59.26 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.884 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.74 -22.4 35.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 73.05 111.154 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.17 -39.42 27.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 35.23 112.445 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.445 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.15 -23.84 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 72.11 110.849 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -76.28 -39.35 54.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.985 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.504 HG23 ' HG ' ' A' ' 111' ' ' LEU . 1.4 mp -75.47 -40.85 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.23 111.179 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -62.77 -59.09 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.25 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.5 mm? -50.41 -33.03 19.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.928 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -41.07 97.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 71.24 110.882 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -41.49 30.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.917 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -179.52 -34.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.883 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.96 22.21 40.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 42.21 112.476 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.15 -142.54 5.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 64.24 112.489 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.54 106.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 71.1 112.48 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.14 -134.22 36.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 64.05 112.465 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.24 172.18 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 65.4 112.513 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.03 -164.94 25.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 45.32 112.51 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -9.84 27.07 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.683 2.255 . . . . 74.11 112.353 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.16 -29.39 61.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.47 ' OH ' HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -73.13 -34.43 66.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.923 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.13 -39.96 91.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.52 -26.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 72.13 111.102 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.28 -31.75 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 42.34 111.129 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.25 -24.64 22.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 t -85.99 -45.24 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.45 111.152 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mm -74.77 -22.63 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.05 111.102 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mm-40 -51.96 -60.63 5.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 72.24 110.898 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.701 ' HG3' HD13 ' A' ' 91' ' ' LEU . 54.1 Cg_endo -69.78 -25.17 28.8 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 55.2 112.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -30.87 71.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 50.52 110.882 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -59.42 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 71.21 110.919 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.38 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.403 ' HE1' ' HG ' ' A' ' 84' ' ' SER . 0.2 OUTLIER -83.67 -24.78 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.852 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.5 m -53.05 -38.17 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 73.5 110.853 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.62 -23.13 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 71.31 110.89 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.6 mt -69.0 -33.7 74.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 72.03 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -62.67 -20.11 64.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.43 111.148 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.01 -13.62 39.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 63.44 112.488 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.762 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.3 tp -91.05 -8.62 48.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 50.41 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.07 -31.88 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.03 111.112 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -97.83 1.06 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.889 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -118.77 -60.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 54.44 110.962 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.1 mt -141.64 74.78 22.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 65.12 110.904 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 129.43 17.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 74.01 112.329 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.7 m -58.31 -21.78 50.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.12 111.157 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -176.72 -172.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 61.21 110.899 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.21 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.52 110.837 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.12 30.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 71.13 112.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.82 -44.47 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.947 0.404 . . . . 61.5 110.939 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.762 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -81.0 -32.93 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.902 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.558 ' SD ' HG22 ' A' ' 127' ' ' ILE . 12.8 mtt -70.07 -51.55 31.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.906 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -54.32 -28.68 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 62.44 111.132 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 87' ' ' VAL . 6.1 mm-40 -83.52 -26.17 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 71.35 110.898 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.403 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -85.02 -25.89 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.843 -179.788 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -84.99 -36.7 21.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 62.45 110.91 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -17.95 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.889 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 83' ' ' GLU . 21.9 t -71.01 -27.29 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 71.23 111.137 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.4 mt -86.03 -36.01 19.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -77.96 -35.36 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 64.42 110.916 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -80.66 -19.94 44.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.817 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.701 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.9 tp -72.25 -47.48 49.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 63.5 110.933 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.7 t -53.42 -27.57 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.45 111.086 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -30.97 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -22.93 32.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.889 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.1 tp -82.47 -45.79 14.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.91 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -60.67 -27.28 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 61.35 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -12.45 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.859 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.47 HD13 ' OH ' ' A' ' 51' ' ' TYR . 1.7 tp -51.84 -23.94 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 74.15 111.101 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -57.58 -19.81 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.53 111.149 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -19.87 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.888 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.639 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.63 -55.28 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.907 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.93 80.79 29.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 61.51 111.143 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.21 11.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 63.25 112.382 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.8 t -69.53 -35.44 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 70.14 110.864 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.64 -15.6 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 71.42 111.147 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -53.16 -23.75 9.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.865 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.19 -18.36 35.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.844 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.513 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.94 -14.29 56.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 73.41 111.089 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.538 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.46 -57.49 8.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.65 0.738 . . . . 61.43 111.171 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.81 -14.07 35.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 75.02 112.339 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.36 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 64.31 110.888 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 108' ' ' ALA . 7.8 tt -77.25 -21.99 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.15 111.104 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.06 -26.97 12.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 75.32 112.489 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.26 -31.8 70.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 74.21 110.906 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -85.39 -34.45 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.894 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -65.19 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.912 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.59 -25.01 64.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.893 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -62.02 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.867 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 123' ' ' VAL . 7.3 m -66.71 -38.29 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 71.53 111.17 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -54.02 -29.19 42.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 51.51 110.89 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -85.55 -25.44 26.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 73.31 110.91 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.07 -23.37 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 74.45 110.926 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 119' ' ' THR . 94.9 t -57.65 -23.08 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 75.41 111.138 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.574 ' HG2' HD11 ' A' ' 127' ' ' ILE . 1.6 mt-10 -66.68 -19.98 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 72.43 110.89 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -20.6 65.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 65.01 110.868 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.697 ' HA ' HG21 ' A' ' 19' ' ' VAL . 1.2 p -80.23 -37.71 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 61.03 110.822 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.574 HD11 ' HG2' ' A' ' 124' ' ' GLU . 46.6 pt -84.04 -26.41 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.45 111.102 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -76.55 -20.82 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 70.54 110.932 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.653 HD12 HG23 ' A' ' 19' ' ' VAL . 26.1 mt -85.07 -42.66 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.53 111.122 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.548 ' O ' HG12 ' A' ' 133' ' ' VAL . 39.4 p -79.19 -22.53 44.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 61.32 111.158 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.07 -18.62 48.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 60.55 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -83.16 -20.53 34.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.905 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -74.31 -19.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 73.01 111.142 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -64.57 -23.03 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.12 111.172 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.2 -30.48 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 52.03 110.854 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.61 -38.14 10.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.42 111.207 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -45.07 93.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.843 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -56.56 -39.99 74.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 71.3 110.835 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.1 mtt-85 -64.88 -67.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.88 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 62.11 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 mtp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.788 0.328 . . . . 73.14 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.63 152.49 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 73.13 111.106 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -173.25 139.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 74.15 110.84 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -98.39 85.26 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 70.32 110.87 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -160.82 168.88 23.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 60.22 110.892 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -53.08 114.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 60.5 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.39 -169.91 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 72.21 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.712 ' HB3' HD13 ' A' ' 12' ' ' ILE . 34.6 m-70 63.56 105.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 41.42 110.836 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.4 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 61.44 111.099 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.409 ' HA ' ' HE3' ' A' ' 10' ' ' MET . 8.0 mmm -78.27 -43.77 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 41.24 110.865 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -90.29 -19.19 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 71.11 111.098 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.712 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.3 -28.37 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.23 111.144 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.51 -24.31 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 70.42 110.865 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -43.02 56.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 54.23 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.17 -25.05 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 65.32 111.103 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.89 -53.14 44.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 65.35 110.944 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -61.65 -18.86 61.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.88 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -38.68 48.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.5 110.858 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.613 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.09 -28.2 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 44.43 111.091 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.44 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.92 -18.9 45.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 70.0 110.898 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.32 -56.98 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 55.43 110.87 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -36.38 80.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.891 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 20' ' ' PHE . 25.2 mt -51.73 -33.24 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 71.33 111.092 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.04 -30.24 34.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 33.31 110.86 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -59.06 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 53.44 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.499 HD13 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -57.08 -23.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 71.53 111.123 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.749 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -83.99 -55.97 2.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.691 -0.766 . . . . 74.42 112.504 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -52.03 -34.64 44.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 72.2 111.137 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.71 -34.62 74.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.866 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -82.0 -22.87 36.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 75.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 27' ' ' GLY . 57.6 t -68.22 -20.59 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.179 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.17 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.55 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 65.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.611 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -78.93 -38.55 22.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 74.13 112.516 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -23.86 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 74.14 110.869 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.0 -39.77 49.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.44 110.884 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.582 HG22 ' HB1' ' A' ' 108' ' ' ALA . 1.4 mp -73.55 -40.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 73.1 111.131 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.69 -59.02 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.921 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -50.46 -35.82 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.921 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -38.94 73.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 70.33 110.852 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.557 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 40.7 mm-40 -64.87 -38.66 91.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 63.22 110.927 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.51 -41.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.89 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.13 27.43 22.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 43.44 112.515 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.66 -171.57 13.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 52.14 112.501 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.63 -146.8 18.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 65.54 112.531 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.87 -116.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 72.31 112.51 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.19 159.0 2.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 25.33 112.452 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.94 -165.43 29.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 71.53 112.534 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -9.69 26.71 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.719 2.28 . . . . 54.3 112.286 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.48 -31.01 62.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 65.32 110.929 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.626 ' HE2' HD12 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -76.84 -29.37 55.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.95 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -67.83 -36.38 80.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 73.34 110.876 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.07 -26.32 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 75.1 111.126 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.7 -31.51 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 62.23 111.131 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.17 -24.7 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.905 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.651 ' HA ' HD11 ' A' ' 91' ' ' LEU . 6.9 t -86.1 -45.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 73.22 111.112 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.4 mm -74.64 -22.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 71.1 111.127 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.93 -60.74 5.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.73 . . . . 53.11 110.918 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.716 ' CG ' HD13 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.75 -24.97 29.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.714 2.276 . . . . 74.33 112.37 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.31 70.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.25 110.938 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -56.65 -59.76 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.34 40.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 64.31 110.913 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.71 -24.74 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.852 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -38.98 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 65.35 110.85 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -65.06 -25.62 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 62.25 110.842 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -68.95 -34.21 74.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 51.41 110.92 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -62.64 -20.49 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 61.32 111.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.97 -13.77 38.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 63.42 112.519 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.758 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.1 tp -91.08 -9.2 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 75.43 110.907 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.429 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.12 -31.85 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 74.04 111.099 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -97.31 1.11 49.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -119.0 -60.58 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 71.32 110.921 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.55 74.7 23.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 61.24 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.47 17.65 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.25 . . . . 62.4 112.335 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 100.0 m -57.58 -22.79 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 51.4 111.12 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -176.41 -172.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.6 p -62.46 -17.24 59.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.893 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.81 30.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 64.21 112.466 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.75 -44.35 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 54.52 110.903 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.758 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -81.04 -34.19 32.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 61.05 110.853 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.429 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.4 mtt -68.69 -51.87 37.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 51.21 110.89 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 t -54.06 -28.67 40.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 75.34 111.146 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 87' ' ' VAL . 10.1 tt0 -80.92 -28.1 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 54.02 110.907 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -84.97 -26.11 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.91 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.679 ' HG3' HG11 ' A' ' 123' ' ' VAL . 1.0 OUTLIER -84.98 -33.37 22.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 73.55 110.914 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -18.02 59.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.852 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 83' ' ' GLU . 5.6 t -86.52 -23.0 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 72.54 111.15 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.686 ' CD1' HG21 ' A' ' 123' ' ' VAL . 30.9 mt -69.37 -36.29 76.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.92 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.479 ' O ' HG22 ' A' ' 92' ' ' THR . 0.2 OUTLIER -79.69 -34.15 40.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 42.31 110.914 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -19.96 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.883 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.716 HD13 ' CG ' ' A' ' 59' ' ' PRO . 1.8 tp -70.16 -46.05 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 72.34 110.893 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.0 t -53.53 -27.02 23.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 60.12 111.136 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -26.32 36.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 72.44 110.919 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -28.65 56.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 53.41 110.886 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.541 HD11 ' CE1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -83.11 -36.08 25.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.53 -23.03 48.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 63.42 110.909 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -12.46 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 63.25 110.9 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.626 HD12 ' HE2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -51.49 -24.46 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 44.54 111.102 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.4 p -57.74 -19.42 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.15 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -85.3 -20.1 30.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.05 110.903 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.655 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.8 -55.31 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 61.54 110.935 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.9 mp -137.85 81.68 27.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 75.44 111.178 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -2.83 10.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 62.32 112.323 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.2 t -69.15 -11.74 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 64.42 110.887 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.8 p -80.12 -14.03 58.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 64.34 111.185 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 t -49.36 -26.58 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 60.24 110.818 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -43.43 71.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.859 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.582 ' HB1' HG22 ' A' ' 37' ' ' ILE . . . -85.5 -14.98 44.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.41 111.129 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.64 -56.92 9.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 65.14 111.155 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.77 -14.32 35.9 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.273 . . . . 62.53 112.356 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -43.41 14.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 51.3 110.914 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.611 HD12 ' HA2' ' A' ' 34' ' ' GLY . 12.4 tt -89.11 -21.98 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.42 111.089 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.34 -27.83 12.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 63.12 112.438 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -62.07 -36.62 82.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 64.32 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.45 -33.03 21.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 64.43 110.92 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.7 mtp -51.89 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.914 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -60.25 -26.98 66.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 73.2 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -47.55 68.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.918 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 123' ' ' VAL . 31.9 m -57.91 -55.23 37.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 72.13 111.144 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -51.94 -43.85 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.932 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.62 -41.73 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 65.11 110.864 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.499 ' CE2' HD13 ' A' ' 26' ' ' ILE . 24.4 t80 -58.8 -23.81 60.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.01 110.909 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.686 HG21 ' CD1' ' A' ' 88' ' ' LEU . 97.0 t -57.71 -23.0 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.13 111.17 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.693 ' CG ' HD11 ' A' ' 127' ' ' ILE . 4.4 tt0 -59.26 -21.67 59.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 41.23 110.87 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.5 p -54.88 -30.11 57.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 75.54 110.834 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -56.55 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.837 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.693 HD11 ' CG ' ' A' ' 124' ' ' GLU . 42.8 pt -64.74 -26.7 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 70.1 111.143 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -72.19 -48.68 41.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.876 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.613 HD12 HG23 ' A' ' 19' ' ' VAL . 22.3 mt -63.72 -42.05 94.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.145 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 5.4 p -69.34 -22.56 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 55.41 111.143 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.24 -18.34 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.884 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -84.68 -19.84 32.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.909 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.51 -25.61 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.12 111.138 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.3 tp -78.08 -22.87 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 63.34 111.121 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -22.97 32.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 63.12 110.885 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.09 -34.33 11.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 52.12 111.134 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -69.79 -45.66 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.855 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -17.98 61.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 63.23 110.815 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.15 -33.83 14.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 72.43 110.888 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.21 110.884 -179.806 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.755 0.312 . . . . 54.22 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.29 133.92 46.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 71.42 111.106 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.97 162.28 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 64.11 110.822 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -91.8 -64.2 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.837 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -60.39 129.8 43.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 62.13 110.834 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 55.95 65.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.918 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.53 117.16 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.849 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.697 ' HB3' HD13 ' A' ' 12' ' ' ILE . 39.4 m-70 63.56 105.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.823 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.29 -47.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 51.24 111.068 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.2 mmt -80.3 -44.5 19.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.24 -19.03 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 75.42 111.11 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.697 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.38 -28.52 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.21 111.113 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.22 -20.49 60.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 63.51 110.857 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.1 -48.16 10.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.55 110.828 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.4 mt -56.17 -24.94 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 75.15 111.13 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -52.72 -50.72 62.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 53.12 110.972 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.602 ' N ' HD23 ' A' ' 16' ' ' LEU . 10.5 mttt -61.26 -18.87 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 42.05 110.898 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.72 -39.4 52.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.862 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.95 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.12 -28.13 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.45 111.098 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.72 -18.98 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -70.06 -43.04 72.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.1 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.53 -46.07 63.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.893 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mp -52.48 -38.15 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 72.55 111.192 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.3 m -81.0 -22.11 39.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.892 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -58.99 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.25 110.89 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.8 tt -82.82 -19.96 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.117 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.2 -20.53 79.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 50.32 112.472 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -76.66 -40.41 49.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 54.41 111.148 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.82 -23.95 65.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.893 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -73.27 -21.85 60.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 63.23 110.853 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 t -68.73 -20.47 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 65.25 111.092 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -59.16 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.881 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.6 -22.57 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 61.01 111.129 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.748 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -76.73 -39.61 28.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 32.52 112.501 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.474 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.22 -22.96 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 71.13 110.896 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -77.16 -38.88 50.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 65.05 110.971 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.937 HG23 HD13 ' A' ' 111' ' ' LEU . 1.4 mp -76.61 -41.68 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.127 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.61 -57.69 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.871 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.6 mm? -49.42 -31.02 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 64.43 110.918 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -64.32 -51.62 62.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.15 110.88 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.536 ' NE2' HD12 ' A' ' 111' ' ' LEU . 21.8 mt-30 -74.41 -56.63 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 64.43 110.902 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.45 52.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.859 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -81.53 -16.78 72.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 62.01 112.51 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -102.84 79.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 53.01 112.487 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.74 -112.5 1.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 45.34 112.528 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.19 -94.37 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 53.53 112.482 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.92 -178.98 14.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 73.43 112.533 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.74 -177.96 18.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.468 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -10.84 29.5 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 74.22 112.319 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.521 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.46 -24.71 39.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.934 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.4 ' HE2' HD13 ' A' ' 98' ' ' ILE . 1.4 t80 -65.83 -37.66 86.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 65.23 110.95 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CD2' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -64.14 -49.04 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.03 110.87 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.487 HG23 ' CD2' ' A' ' 52' ' ' PHE . 57.0 t -72.41 -31.42 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 74.41 111.112 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.92 -34.6 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 71.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.16 -24.31 26.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.2 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.5 t -86.45 -44.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 70.54 111.167 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -74.91 -23.56 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 64.03 111.155 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.4 mm-40 -51.59 -60.7 5.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.672 0.748 . . . . 74.24 110.915 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.4 Cg_endo -69.75 -23.64 30.59 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.616 2.211 . . . . 74.4 112.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -32.76 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 52.43 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -54.4 -60.47 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -56.02 -25.11 43.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.908 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -82.56 -24.72 33.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 65.03 110.826 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.3 m -52.91 -29.11 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 72.14 110.866 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -57.02 -24.14 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 72.13 110.884 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.574 HD22 ' HD3' ' A' ' 80' ' ' LYS . 7.7 mt -74.38 -47.85 31.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.943 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.0 p -66.34 -13.46 60.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 71.41 111.143 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.84 -14.1 32.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 42.12 112.472 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -17.26 26.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 74.54 110.897 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.698 HG21 ' HG2' ' A' ' 81' ' ' MET . 3.1 t -94.64 -31.89 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 71.55 111.145 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.561 ' CB ' HD12 ' A' ' 16' ' ' LEU . 21.9 m-85 -91.33 1.06 57.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.862 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -105.8 -66.02 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.951 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.1 tp -150.72 71.99 8.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 73.05 110.948 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 129.25 17.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 72.51 112.336 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -112.43 43.68 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 63.02 111.142 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.81 166.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.4 110.899 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 m -65.9 -14.36 61.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.855 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.21 43.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.752 . . . . 71.43 112.47 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.93 -60.7 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 74.34 110.897 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.574 ' HD3' HD22 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -81.16 -20.03 42.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.888 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.698 ' HG2' HG21 ' A' ' 70' ' ' VAL . 12.6 mtt -68.57 -54.41 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.891 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t -54.02 -31.56 51.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.11 111.156 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 87' ' ' VAL . 2.3 mt-10 -88.03 -20.02 26.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.931 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.486 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -84.21 -21.02 31.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.883 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -77.93 -53.29 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 60.41 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.9 m -62.1 -17.96 59.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 61.42 110.871 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 63' ' ' PHE . 3.4 t -76.13 -31.6 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 70.4 111.108 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.96 -33.68 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 52.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -27.85 28.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 65.1 110.887 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 t -87.17 -19.8 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.861 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -42.1 62.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 52.05 110.893 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -58.3 -22.07 51.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 71.33 111.116 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.51 -38.99 56.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.899 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -33.26 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 65.1 110.883 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 tp -83.41 -47.2 11.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.909 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.64 -24.99 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.921 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -12.6 61.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.918 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.4 HD13 ' HE2' ' A' ' 51' ' ' TYR . 3.5 tp -51.77 -23.78 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 70.13 111.108 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.22 -20.17 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 64.22 111.106 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -19.48 33.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.852 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.628 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.54 -55.05 2.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 64.04 110.94 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.628 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.78 79.84 32.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 64.24 111.155 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -2.89 10.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 65.02 112.365 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 p -69.51 -35.63 75.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 71.32 110.862 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.4 p -90.93 -15.55 29.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 42.11 111.126 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 t -53.32 -23.79 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 53.12 110.836 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -59.16 -18.58 37.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 73.33 110.852 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.2 -14.03 56.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 61.41 111.107 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.549 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.42 8.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.73 . . . . 54.13 111.125 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.76 -14.24 35.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 71.01 112.328 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.937 HD13 HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -84.45 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 64.24 110.901 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.748 HD12 ' HA2' ' A' ' 34' ' ' GLY . 12.8 tt -76.9 -21.95 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 72.15 111.104 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.13 -26.59 12.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 63.21 112.439 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -59.57 -29.84 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.771 0.32 . . . . 71.31 110.868 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -85.29 -35.31 21.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 75.22 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.841 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.13 -25.53 63.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 73.21 110.918 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -61.64 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.882 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.7 m -67.52 -37.14 82.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 70.44 111.17 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -57.06 -25.8 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.04 110.933 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -81.91 -20.92 37.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 62.22 110.887 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -84.11 -21.06 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.0 -27.38 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 74.03 111.103 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.427 ' HG2' HD11 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -60.62 -19.98 59.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.869 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 t -60.72 -24.61 65.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.845 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.492 ' HA ' HG21 ' A' ' 19' ' ' VAL . 15.4 m -72.59 -56.51 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 62.42 110.834 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.427 HD11 ' HG2' ' A' ' 124' ' ' GLU . 21.0 pt -60.78 -24.02 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 64.43 111.149 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -50.33 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.875 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.95 HD12 HG23 ' A' ' 19' ' ' VAL . 33.8 mt -65.97 -43.0 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 71.32 111.164 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.3 p -71.33 -22.52 61.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 62.51 111.145 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -18.35 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.875 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -19.85 31.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 52.21 110.9 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.66 -25.73 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 72.2 111.153 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.58 -22.85 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 72.22 111.167 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -82.52 -25.49 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 54.52 110.899 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -44.04 7.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 53.1 111.147 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -60.39 -40.14 89.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 34.12 110.84 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -63.92 -43.37 96.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 71.24 110.854 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -52.03 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 71.22 110.875 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 71.41 110.852 -179.803 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.762 0.315 . . . . 62.12 110.867 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.64 -59.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 41.45 111.109 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.75 -67.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 75.21 110.852 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.95 147.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -139.62 -176.49 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.908 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -70.46 153.02 43.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 75.42 110.856 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 62.16 168.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 71.32 110.823 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.38 106.19 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.902 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.518 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.66 -47.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 52.34 111.119 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.9 mmt -80.16 -44.58 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 61.53 110.891 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.25 -18.97 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.32 111.191 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.518 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.39 -28.52 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 64.42 111.159 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -76.62 -21.12 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 63.54 110.848 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -78.18 -22.11 49.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.794 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.514 HG22 ' CD1' ' A' ' 129' ' ' ILE . 6.0 mm -77.56 -24.95 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 70.31 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -42.43 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.906 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -53.0 -33.27 50.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.933 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t -66.47 -32.29 73.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 54.51 110.91 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -88.13 -32.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 73.34 111.13 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.67 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.63 -18.92 46.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 65.43 110.86 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.58 -45.24 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 51.5 110.903 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -44.83 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 54.4 110.882 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 20' ' ' PHE . 39.3 mt -51.76 -43.0 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.22 111.121 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 m -81.1 -20.98 40.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 62.44 110.831 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -68.67 -59.06 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.878 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -86.07 -20.0 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 74.21 111.114 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.741 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -76.11 -52.37 6.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 42.34 112.487 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.5 m -51.95 -48.9 64.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 71.05 111.17 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.88 -23.2 65.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.872 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -82.0 -28.35 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.892 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 27' ' ' GLY . 40.5 t -68.29 -20.47 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 70.54 111.134 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -86.65 -56.62 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -23.12 34.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.116 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' CA ' HD12 ' A' ' 112' ' ' ILE . . . -73.82 -40.81 43.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 50.1 112.494 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.489 ' O ' HD23 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.73 -22.38 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 71.31 110.891 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.17 -36.09 47.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.436 HG21 ' HB3' ' A' ' 111' ' ' LEU . 1.0 OUTLIER -72.86 -39.57 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 54.24 111.152 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.67 -45.74 61.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.888 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -51.5 -37.2 47.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 64.22 110.895 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -45.38 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.87 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.98 -43.71 63.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.937 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -179.45 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.885 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.22 23.64 33.87 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 62.12 112.449 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.78 -157.93 13.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.689 -0.767 . . . . 50.44 112.469 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.16 169.82 18.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 74.12 112.481 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.16 -88.83 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.748 . . . . 71.23 112.479 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.83 159.4 3.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 61.14 112.479 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.83 -179.68 38.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 70.11 112.505 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.76 29.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.667 2.245 . . . . 71.2 112.34 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.508 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.39 -29.86 37.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 62.32 110.922 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -39.31 86.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 73.2 110.924 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -31.13 72.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.4 110.837 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.7 t -88.16 -28.39 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 72.41 111.115 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 50' ' ' LEU . 38.6 t -80.93 -28.21 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.34 111.124 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.78 -24.72 22.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 62.41 110.84 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.9 p -89.0 -28.09 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.168 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.1 mm -91.19 -25.93 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.12 111.135 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mt-10 -51.25 -60.22 6.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 74.43 110.879 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.761 ' HG2' HD22 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.8 -33.79 15.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.7 2.267 . . . . 71.2 112.316 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -63.68 -29.89 71.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 74.03 110.845 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -59.24 5.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 72.5 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -25.77 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 73.04 110.894 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -24.83 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.909 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -38.61 65.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 62.22 110.878 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -78.04 -23.82 48.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 62.04 110.855 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.79 -33.34 74.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 74.32 110.918 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.43 HG21 ' CE2' ' A' ' 20' ' ' PHE . 8.1 m -62.66 -19.95 64.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 71.04 111.075 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.05 -13.62 38.99 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 35.21 112.449 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.746 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.4 tp -91.1 -7.94 50.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 63.24 110.91 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -94.92 -31.77 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 52.54 111.165 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -98.59 1.11 46.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.866 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -118.51 -59.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 54.33 110.894 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 tp -141.73 75.01 22.22 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.651 0.738 . . . . 65.42 110.906 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.34 17.41 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 42.24 112.344 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.0 m -60.55 -19.01 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 33.11 111.147 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.78 -171.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.806 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.2 p -64.58 -15.67 61.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 72.23 110.834 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.1 31.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 74.43 112.489 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -85.5 -45.71 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 71.23 110.865 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.746 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -78.64 -32.48 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.868 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.417 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.7 mtt -71.15 -53.68 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 73.24 110.842 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 t -53.82 -28.02 33.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 44.15 111.193 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.3 tt0 -83.08 -28.34 29.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.904 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.01 -20.98 29.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 45.31 110.881 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -84.68 -38.73 19.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.881 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -18.02 59.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.865 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 83' ' ' GLU . 6.2 t -71.62 -31.1 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.173 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.97 -34.46 20.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 73.53 110.911 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 92' ' ' THR . 33.8 mtpt -76.34 -36.52 58.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.867 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.0 t -81.01 -19.88 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 54.2 110.846 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.761 HD22 ' HG2' ' A' ' 59' ' ' PRO . 2.0 tp -74.8 -48.13 27.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.879 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.4 t -53.71 -27.45 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 72.02 111.134 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.34 -33.14 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 71.34 110.895 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -83.57 -22.95 32.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.908 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.9 tp -81.58 -38.04 26.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 62.35 110.914 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -70.69 -26.09 63.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.875 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -10.32 59.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.869 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.7 tp -50.19 -25.05 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.13 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.22 -19.9 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 72.31 111.137 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -83.92 -20.24 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.905 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.633 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.74 -54.95 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.916 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.82 80.99 29.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 71.22 111.158 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -3.42 11.93 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.661 2.241 . . . . 65.55 112.388 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -35.8 75.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.53 110.839 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.9 p -91.1 -15.62 29.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 71.31 111.149 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.4 t -56.93 -20.59 24.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.832 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -59.11 -18.45 35.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 74.22 110.852 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.06 -14.13 56.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 63.34 111.095 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.546 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.46 8.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 74.11 111.153 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.2 Cg_endo -69.8 -14.17 35.58 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 62.32 112.319 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.436 ' HB3' HG21 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -84.44 -61.3 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.893 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 108' ' ' ALA . 5.8 tt -76.79 -21.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 52.11 111.151 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -49.88 -28.74 12.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 62.12 112.504 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -64.34 -39.18 93.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 75.15 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -85.13 -22.5 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.14 110.908 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -65.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 73.41 110.832 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.75 -26.4 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 55.21 110.928 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -60.13 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.856 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 123' ' ' VAL . 53.0 m -70.28 -38.66 75.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 72.32 111.12 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -27.1 36.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.935 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.48 -27.79 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.892 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.57 -21.68 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 64.25 110.839 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 119' ' ' THR . 53.2 t -55.99 -28.15 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 50.1 111.157 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.609 ' O ' HD12 ' A' ' 127' ' ' ILE . 3.5 mt-10 -66.26 -20.87 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.936 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.9 m -56.01 -25.76 45.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 55.03 110.796 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -33.75 67.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 70.23 110.837 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 124' ' ' GLU . 2.3 mp -83.43 -24.01 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 54.14 111.153 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -52.17 -39.84 60.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.93 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.514 ' CD1' HG22 ' A' ' 15' ' ' ILE . 21.2 mt -66.7 -58.06 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.076 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -22.52 49.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 72.2 111.14 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.625 ' O ' HG22 ' A' ' 134' ' ' ILE . 0.2 OUTLIER -59.92 -18.71 47.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.864 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -84.84 -33.43 22.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.873 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.09 -21.37 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.34 111.131 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 131' ' ' GLU . 1.1 tt -52.94 -28.04 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.091 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -49.73 -36.07 24.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.889 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.26 -42.52 8.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.128 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -55.55 -53.78 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 62.41 110.842 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.9 t-80 -53.58 -53.49 50.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.843 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -74.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 64.02 110.905 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 61.01 110.882 -179.834 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.804 0.335 . . . . 74.31 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.69 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 64.22 111.13 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -101.42 76.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 62.44 110.862 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.62 117.44 28.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 54.41 110.852 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -120.8 27.43 8.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 73.44 110.861 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.59 -55.84 2.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 71.54 110.841 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.61 161.03 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 70.13 110.879 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.35 106.22 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 73.41 110.805 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.52 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 55.45 111.147 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 mmt -80.24 -44.6 19.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 61.13 110.869 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.6 m -90.2 -19.01 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 73.31 111.163 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.513 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.43 -28.49 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 61.2 111.137 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -84.9 -20.34 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.12 -48.81 19.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.806 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.2 mm -56.14 -24.95 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 61.32 111.132 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 71' ' ' PHE . 7.6 tt -54.07 -45.22 71.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.925 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -63.01 -19.07 64.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.866 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.79 -34.14 30.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 53.34 110.904 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.06 HG21 HD11 ' A' ' 129' ' ' ILE . 3.4 t -88.1 -31.43 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.02 111.1 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.517 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.48 -18.89 47.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.4 110.912 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.68 -45.69 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 52.01 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -36.52 69.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 63.4 110.902 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 20' ' ' PHE . 28.9 mt -51.96 -40.04 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.11 111.15 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.09 -20.99 40.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 72.01 110.858 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -65.69 -59.02 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.932 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 pt -81.57 -20.03 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.132 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.68 75.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.479 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 p -92.0 -21.01 20.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.728 0.299 . . . . 73.02 111.097 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.99 -29.75 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 60.13 110.889 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.0 p -82.04 -17.96 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.52 110.835 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.26 -20.47 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 54.25 111.15 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -87.27 -56.42 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 73.35 110.815 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.85 -26.33 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 64.42 111.145 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.98 -39.19 93.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 55.22 112.492 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.86 -24.4 22.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 75.11 110.854 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mp -77.07 -35.26 56.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 61.43 110.943 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.473 HG12 HD12 ' A' ' 111' ' ' LEU . 1.1 mp -75.8 -50.44 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.11 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.82 -57.67 11.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 61.15 110.86 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.451 HD12 ' HA2' ' A' ' 43' ' ' GLY . 4.2 mp -51.34 -36.13 41.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 65.21 110.95 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t -65.13 -41.22 95.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 72.51 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -74.48 -40.68 61.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.901 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.86 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.878 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' A' ' 39' ' ' LEU . . . 96.7 -24.74 29.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 74.52 112.508 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.25 -174.64 35.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 53.03 112.479 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.81 -53.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 32.32 112.49 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.1 -117.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.676 -0.773 . . . . 43.14 112.503 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.14 147.31 13.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 61.33 112.497 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.03 -165.43 27.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.684 -0.77 . . . . 63.44 112.524 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 73.52 112.383 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -73.76 -35.88 65.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.645 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -62.78 -38.14 89.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.969 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -65.61 -49.51 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 74.35 110.864 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.48 -34.14 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.52 111.139 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.6 -36.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.15 111.106 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -82.99 -23.94 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.911 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.2 t -87.54 -44.23 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 64.13 111.11 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.1 mm -74.06 -24.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 73.35 111.119 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.7 mt-10 -52.14 -60.38 6.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 62.53 110.915 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.826 ' HG3' HD13 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.74 -20.89 34.35 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 74.21 112.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.9 m -66.16 -34.44 78.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 60.45 110.904 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -62.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 54.45 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -56.26 -24.87 45.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.881 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -24.39 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.5 110.885 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 67' ' ' THR . 68.3 m -55.55 -34.26 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.842 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.81 -20.89 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.924 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.6 mt -73.71 -48.55 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 72.3 110.938 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 64' ' ' SER . 9.8 t -64.4 -14.88 59.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.154 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.44 -13.14 36.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 73.5 112.486 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -12.46 35.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 72.42 110.944 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.763 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.5 t -91.21 -44.34 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 54.13 111.127 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.552 ' CZ ' HD13 ' A' ' 129' ' ' ILE . 35.9 m-85 -83.05 1.14 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 61.43 110.887 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -120.18 -67.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 72.31 110.931 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -120.2 76.41 23.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 73.34 110.933 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 129.0 16.92 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.733 2.289 . . . . 74.05 112.337 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.5 p -102.94 -13.21 17.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 63.15 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -176.42 179.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 54.2 110.897 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.8 m -60.14 -20.58 59.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.846 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.56 41.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 72.45 112.489 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 82' ' ' THR . 5.4 mm-40 -67.05 -51.54 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 71.43 110.84 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.21 -30.91 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 70.32 110.947 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.763 ' HG2' HG21 ' A' ' 70' ' ' VAL . 8.8 mtt -63.5 -40.11 96.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 73.41 110.893 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.4 t -56.55 -23.81 42.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 71.5 111.116 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.9 tt0 -80.13 -24.15 40.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 71.33 110.875 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 t -81.84 -27.9 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 72.32 110.861 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -63.53 -28.97 70.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 62.02 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.03 -17.97 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 23.11 110.853 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 83' ' ' GLU . 85.5 t -73.8 -29.03 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.33 111.115 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.2 mt -86.08 -35.27 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 61.22 110.936 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 92' ' ' THR . 2.5 ttmm -76.7 -36.31 57.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 63.35 110.931 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.2 p -80.56 -19.87 44.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 63.52 110.835 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.826 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.8 tp -73.88 -48.3 31.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 71.12 110.928 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.5 t -53.8 -27.09 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 62.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -26.84 38.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.895 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -27.25 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 55.14 110.873 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -83.18 -49.23 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 51.12 110.944 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -57.72 -26.45 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.11 110.92 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -12.88 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.897 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.645 HD13 ' CE2' ' A' ' 51' ' ' TYR . 1.8 tp -52.05 -24.34 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 70.42 111.16 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -57.77 -19.55 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.15 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -85.19 -19.98 30.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 55.14 110.863 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.648 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.64 -55.35 2.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 74.12 110.967 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.95 81.26 28.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 74.51 111.141 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -3.4 11.9 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.717 2.278 . . . . 74.43 112.389 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -35.42 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 51.4 110.859 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 81.5 p -90.68 -15.47 30.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 70.55 111.158 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.7 t -52.98 -23.79 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 63.44 110.876 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -59.11 -18.44 35.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 54.12 110.84 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.92 -14.22 56.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 52.23 111.113 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.51 -57.5 8.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.667 0.746 . . . . 74.25 111.124 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.8 -14.0 35.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 65.41 112.317 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.473 HD12 HG12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.44 -61.29 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.896 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 108' ' ' ALA . 3.9 tt -77.29 -22.03 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.35 111.088 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.71 -27.56 13.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 64.35 112.48 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -61.52 -35.0 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 74.23 110.913 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -85.46 -30.57 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -65.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 75.53 110.888 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -26.88 63.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.93 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -61.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.886 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 123' ' ' VAL . 30.6 m -63.04 -37.9 89.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.1 111.152 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -55.36 -34.45 64.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.873 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.01 -17.0 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 63.14 110.867 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -85.45 -23.87 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.901 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 119' ' ' THR . 59.4 t -58.73 -23.01 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 70.11 111.104 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.42 -19.94 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.93 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.4 m -56.13 -26.83 51.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.4 110.81 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.8 t -52.99 -41.53 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.839 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.31 -23.98 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 74.42 111.13 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -31.25 63.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 73.03 110.901 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 1.06 HD11 HG21 ' A' ' 19' ' ' VAL . 2.3 mp -75.93 -54.39 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.24 111.147 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -22.57 49.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 73.23 111.119 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.628 ' O ' HG22 ' A' ' 134' ' ' ILE . 2.8 tt0 -59.87 -18.73 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.897 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.79 -33.48 22.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 64.41 110.867 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -21.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 54.11 111.126 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 131' ' ' GLU . 1.1 tt -52.9 -28.03 13.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 75.22 111.129 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -49.72 -36.08 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.907 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -42.03 8.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 55.42 111.136 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -54.18 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 54.4 110.854 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -53.08 -53.4 50.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.847 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.52 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.883 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 94.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.883 -179.827 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.821 0.343 . . . . 74.35 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.47 129.34 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 72.43 111.112 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.85 132.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 62.32 110.892 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -73.48 102.26 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.838 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.98 -178.13 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.871 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.5 m80 59.95 93.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 73.41 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.39 -170.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.881 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.401 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -121.39 106.37 11.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 62.42 110.843 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.23 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.45 111.09 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.8 mmt -80.15 -44.52 19.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 75.21 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.25 -18.98 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 62.44 111.139 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.511 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.39 -28.51 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.21 111.114 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.54 -25.37 38.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 73.13 110.873 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -48.77 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 71.11 110.85 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.08 -24.97 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.43 111.163 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.6 HD13 ' CD1' ' A' ' 71' ' ' PHE . 10.3 tp -51.98 -45.19 64.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 74.15 110.881 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -28.43 69.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 61.13 110.881 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -36.36 77.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 72.53 110.864 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.588 ' CG2' HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -87.99 -28.17 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.51 111.147 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.676 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -81.14 -18.91 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 61.43 110.873 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -79.54 -42.11 25.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.1 110.852 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -46.55 81.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.886 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 20' ' ' PHE . 10.3 mt -51.53 -40.91 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.33 111.178 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.4 m -81.03 -21.02 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 71.44 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -69.0 -59.09 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.05 110.862 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.504 ' CG2' HG23 ' A' ' 119' ' ' THR . 1.2 tt -85.99 -19.92 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.41 111.157 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.75 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -65.62 -55.97 17.5 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.728 -0.749 . . . . 60.15 112.524 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.0 p -61.72 -20.91 64.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.747 0.308 . . . . 72.34 111.159 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -72.29 -38.58 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.885 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 m -82.01 -22.82 36.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.14 110.856 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 27' ' ' GLY . 60.0 t -68.07 -20.61 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 75.23 111.14 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -86.11 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.43 -23.09 47.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 70.22 111.107 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.35 -39.92 41.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 71.32 112.459 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.661 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.65 -26.7 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 73.25 110.879 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -71.87 -37.95 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.906 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.91 -37.61 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.126 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -46.21 87.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.896 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 35' ' ' ARG . 2.7 mm? -51.65 -29.59 18.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 70.2 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m -80.02 -56.52 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 61.2 110.892 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -51.29 -55.5 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 72.54 110.924 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.87 50.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.32 110.86 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.509 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -112.64 12.27 25.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 52.21 112.476 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.35 41.5 2.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 53.51 112.479 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.0 175.7 42.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 62.33 112.432 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.13 -151.17 7.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 52.1 112.512 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.18 154.56 5.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 21.14 112.501 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.39 -179.55 39.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 70.3 112.509 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.719 2.28 . . . . 73.15 112.344 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.22 -33.69 37.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.901 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.88 -36.31 82.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.878 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' HD2' HG23 ' A' ' 53' ' ' VAL . 1.7 t80 -64.37 -50.64 66.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 72.45 110.866 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.495 HG23 ' HD2' ' A' ' 52' ' ' PHE . 63.7 t -70.4 -32.2 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.11 111.12 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -73.56 -34.98 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 71.51 111.111 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -86.09 -24.23 26.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 51.02 110.889 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 t -86.29 -45.02 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.05 111.156 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mm -74.53 -23.36 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 63.31 111.12 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.6 -60.88 5.01 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.658 0.742 . . . . 74.34 110.908 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.75 -24.07 30.11 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 43.54 112.342 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -33.43 75.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 53.51 110.912 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -51.7 -55.9 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.876 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -25.5 51.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.874 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.09 -24.63 27.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 63.4 110.899 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -35.67 56.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.899 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.6 -26.08 41.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 65.01 110.887 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 84' ' ' SER . 6.3 mt -71.91 -37.99 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.22 110.923 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.422 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 6.8 m -62.48 -21.01 65.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 74.34 111.126 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.6 -13.66 40.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 31.2 112.475 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.723 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.4 tp -91.01 -8.11 50.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.341 . . . . 64.42 110.935 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.09 -31.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 63.01 111.122 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' HD13 ' A' ' 16' ' ' LEU . 67.4 m-85 -98.29 1.11 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -118.55 -59.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.925 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -142.74 75.11 18.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 74.22 110.911 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 129.52 17.72 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 62.42 112.36 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.6 m -58.31 -21.89 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.04 111.133 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.42 -172.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.867 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.7 p -62.54 -17.13 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.89 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.94 30.44 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 55.53 112.453 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.09 -44.24 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 71.51 110.889 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.723 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -81.07 -33.57 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 62.23 110.902 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.407 ' HG2' HG21 ' A' ' 70' ' ' VAL . 19.8 mtt -69.42 -53.92 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 63.43 110.876 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 t -53.85 -27.54 30.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 62.43 111.158 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.0 tt0 -82.97 -28.96 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 74.3 110.886 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.595 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -84.96 -21.0 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 61.13 110.885 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.73 -42.65 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 72.04 110.906 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 m -61.93 -18.27 59.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 45.11 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 83' ' ' GLU . 92.1 t -87.01 -22.98 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 71.43 111.129 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.11 -33.95 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.919 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -27.6 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.3 110.918 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.7 m -87.22 -19.77 27.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.84 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.36 -42.35 62.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.901 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -58.41 -22.03 52.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 71.35 111.145 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -51.01 -41.2 59.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.89 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -55.56 -33.72 64.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.874 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.1 tm? -83.39 -48.8 9.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.916 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -57.46 -24.87 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 70.45 110.913 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -13.04 61.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.889 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.9 tp -51.97 -24.23 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 73.44 111.148 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.7 p -57.66 -19.83 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 34.54 111.162 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -84.83 -19.49 32.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.887 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.6 -55.16 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 65.45 110.919 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.624 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.7 mp -137.85 79.99 31.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 72.34 111.097 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -3.4 11.97 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.66 2.24 . . . . 62.31 112.348 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -36.07 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 75.35 110.884 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.26 -15.74 28.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 70.52 111.148 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 m -61.48 -16.62 48.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 65.53 110.878 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.07 -18.72 37.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.04 110.854 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.34 -13.8 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 43.45 111.132 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.55 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.31 -57.41 8.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 74.12 111.131 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.0 Cg_endo -69.76 -14.23 35.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 52.3 112.373 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -61.42 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.902 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.23 -21.82 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 75.31 111.138 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.67 -27.13 11.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 52.24 112.475 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.35 -33.67 72.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.03 110.906 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -85.43 -32.26 22.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.956 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -65.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 65.52 110.864 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.36 -29.98 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.9 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -58.37 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 52.01 110.952 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.504 HG23 ' CG2' ' A' ' 26' ' ' ILE . 2.6 m -70.25 -37.05 74.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 62.12 111.174 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -26.55 48.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.875 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.94 -22.27 27.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.91 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -85.99 -36.75 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 63.13 110.859 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.55 -23.05 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.163 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -19.98 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.862 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -25.34 48.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 70.12 110.803 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.2 t -52.06 -36.68 51.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.871 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.93 -25.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 63.4 111.183 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -66.44 -54.42 24.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.899 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.588 HD12 ' CG2' ' A' ' 19' ' ' VAL . 31.2 mt -55.42 -43.16 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.3 111.133 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -22.51 65.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 60.42 111.193 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.19 -18.39 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.871 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -19.72 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.864 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.41 HG21 HD13 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.75 -26.72 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.13 111.143 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -30.9 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.088 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -21.4 59.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.899 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.487 HG23 HH11 ' A' ' 139' ' ' ARG . 0.0 OUTLIER -76.93 -44.08 32.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.154 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -76.06 -9.13 58.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 71.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -104.64 -24.84 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.03 110.824 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.487 HH11 HG23 ' A' ' 136' ' ' THR . 1.0 OUTLIER -51.96 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.894 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.882 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.776 0.322 . . . . 62.3 110.887 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.75 178.41 9.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 51.43 111.064 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -119.44 -73.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.869 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -141.13 -73.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 62.14 110.849 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 t60 62.64 99.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.906 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 55.68 -170.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.869 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -174.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.904 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.64 ' HB3' HD13 ' A' ' 12' ' ' ILE . 50.1 m80 -73.68 107.74 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 73.31 110.861 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.4 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.4 mmt -80.09 -44.58 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 54.23 110.906 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.17 -19.02 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 73.3 111.174 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.684 HD11 HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -83.39 -28.56 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 64.52 111.139 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -83.92 -17.96 38.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.871 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -83.16 -42.96 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -56.19 -24.91 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 71.32 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.744 HD12 ' HB2' ' A' ' 71' ' ' PHE . 9.2 tt -54.42 -43.95 71.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 61.42 110.907 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -63.58 -18.87 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.43 110.927 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.8 -39.77 50.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 61.34 110.891 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.565 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.12 -27.77 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 55.51 111.154 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.81 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -80.84 -18.95 45.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 53.11 110.881 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -70.11 -47.76 60.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 63.2 110.878 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -38.09 88.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.879 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 20' ' ' PHE . 70.4 mt -51.7 -37.71 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.32 111.129 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.425 ' O ' HG23 ' A' ' 28' ' ' THR . 5.0 m -80.99 -24.98 37.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.933 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -59.0 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 64.42 110.909 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 tt -85.78 -20.0 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.34 111.132 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.679 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -70.82 -43.62 58.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 60.23 112.447 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 24' ' ' CYS . 72.5 p -73.98 -37.3 64.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 64.4 111.139 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.87 -27.33 66.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 m -78.3 -29.66 47.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.887 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 27' ' ' GLY . 59.3 t -60.06 -20.51 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 72.22 111.141 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.31 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.1 110.84 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.59 -22.9 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 71.35 111.111 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.521 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -76.52 -39.06 31.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 63.11 112.475 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.66 -22.83 23.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 74.41 110.896 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.71 -38.5 47.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 61.32 110.894 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.522 HG23 ' HG ' ' A' ' 111' ' ' LEU . 1.3 mp -75.25 -41.04 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.31 111.126 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.25 -59.28 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 65.41 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD22 ' HA3' ' A' ' 43' ' ' GLY . 3.7 mm? -49.44 -31.02 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.898 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -61.89 -50.56 71.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.858 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -79.09 -58.04 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.958 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.48 53.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.856 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.474 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -55.76 -23.62 37.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 64.55 112.474 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.19 13.34 66.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 72.41 112.468 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.52 128.8 41.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 71.23 112.46 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.26 -114.04 3.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 70.32 112.467 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.72 175.19 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 70.12 112.469 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.44 -179.21 39.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.482 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.78 29.43 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 73.03 112.354 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.7 -24.99 38.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.935 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -68.12 -39.37 82.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.921 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -59.9 -38.83 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.844 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.93 -26.45 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 61.14 111.138 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -75.79 -31.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.115 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -24.68 22.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 t -85.96 -45.1 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.42 111.14 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mm -75.01 -22.56 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.02 111.089 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.2 mm-40 -51.82 -60.63 5.63 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 75.24 110.883 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.676 ' CG ' HD22 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.73 -25.81 28.37 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.25 . . . . 75.34 112.325 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.39 77.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.04 -60.3 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.907 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -25.46 42.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 45.24 110.873 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -24.88 33.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.864 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.2 m -55.16 -37.89 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 71.22 110.853 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.73 -22.07 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.927 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.593 HD22 ' HD3' ' A' ' 80' ' ' LYS . 79.0 mt -70.19 -47.85 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 73.03 110.918 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 t -65.28 -14.36 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.145 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.47 -13.7 32.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 65.23 112.527 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.01 -20.03 22.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 75.51 110.917 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.749 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.9 t -87.22 -31.9 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.11 111.148 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.744 ' HB2' HD12 ' A' ' 16' ' ' LEU . 48.6 m-85 -93.71 1.03 56.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.859 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -104.7 -61.22 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 44.24 110.876 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.3 mt -154.81 71.43 5.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.708 . . . . 73.53 110.918 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.08 16.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 44.23 112.322 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.73 43.36 2.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 45.11 111.134 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.77 166.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 64.21 110.91 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -65.75 -14.49 61.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.08 43.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 53.24 112.491 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.29 -60.2 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 73.11 110.869 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.593 ' HD3' HD22 ' A' ' 66' ' ' LEU . 1.7 mmtp -81.07 -19.95 42.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.943 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.749 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.0 mtt -69.01 -55.43 10.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 52.12 110.899 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.4 t -51.65 -31.69 26.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 72.5 111.118 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 87' ' ' VAL . 13.1 tt0 -84.8 -29.39 25.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.877 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -28.51 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.879 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -41.79 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 71.04 110.918 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -62.16 -17.94 59.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 43.21 110.881 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 83' ' ' GLU . 39.0 t -69.12 -31.83 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 71.01 111.117 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.0 mt -86.03 -34.65 20.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 70.3 110.916 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 92' ' ' THR . 5.4 ttmt -75.94 -36.71 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 73.33 110.869 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.4 t -80.69 -20.03 43.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 64.44 110.867 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.676 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.1 tp -75.32 -48.69 21.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 65.32 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.2 t -53.44 -27.73 26.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 62.34 111.177 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.19 -32.27 62.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.93 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.62 -22.87 32.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 61.22 110.904 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.9 tp -82.62 -38.09 24.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.925 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' O ' HG22 ' A' ' 99' ' ' VAL . 14.4 mttm -68.36 -32.91 73.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 74.55 110.918 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -11.98 61.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.856 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -23.54 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 72.42 111.1 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.446 HG12 ' HB2' ' A' ' 106' ' ' SER . 5.9 m -57.58 -19.69 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 63.14 111.109 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.13 -19.93 31.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.913 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.629 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.6 -55.39 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 73.13 110.933 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.629 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.99 80.98 28.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 73.54 111.162 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -3.38 11.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 55.44 112.377 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.8 p -69.61 -35.49 75.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 62.21 110.831 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.7 -15.52 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 64.41 111.155 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.446 ' HB2' HG12 ' A' ' 99' ' ' VAL . 2.9 t -52.89 -24.02 8.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 72.12 110.887 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.17 -18.42 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.87 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.96 -14.23 56.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 71.1 111.127 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.54 -57.49 8.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 62.3 111.113 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.9 Cg_endo -69.81 -14.01 35.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.264 . . . . 63.23 112.291 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HG ' HG23 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.41 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.932 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.521 HD12 ' HA2' ' A' ' 34' ' ' GLY . 8.7 tt -77.36 -22.02 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.02 111.1 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.82 -27.46 13.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 64.24 112.51 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -61.46 -34.44 75.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 61.43 110.858 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -85.43 -31.3 22.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 73.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 42.53 110.855 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.89 -24.97 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 54.15 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -52.43 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.902 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.5 m -69.35 -39.16 78.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 64.1 111.106 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -38.67 60.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.852 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.05 -16.98 36.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.49 -43.11 21.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 73.33 110.885 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.8 p -57.68 -22.98 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 63.45 111.171 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.53 -19.95 58.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 61.54 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -20.75 59.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 73.31 110.859 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -56.52 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 64.54 110.878 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.59 HG22 ' SD ' ' A' ' 81' ' ' MET . 26.2 pt -63.26 -24.0 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 62.43 111.13 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -48.51 48.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 71.21 110.944 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.565 HD12 HG23 ' A' ' 19' ' ' VAL . 85.2 mt -67.78 -48.21 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 65.12 111.17 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.728 HG21 ' CG1' ' A' ' 70' ' ' VAL . 47.3 p -65.04 -22.51 66.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 75.04 111.145 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -18.36 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -84.75 -19.87 31.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 63.51 110.887 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.684 HG21 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.69 -25.6 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.24 111.096 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.84 -22.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.14 111.133 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -24.62 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.852 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -44.01 7.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 31.23 111.162 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -61.51 -28.74 69.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.905 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -77.98 -51.57 10.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.829 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.07 -74.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.864 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 65.32 110.862 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.79 0.329 . . . . 75.2 110.846 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.56 103.49 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 61.44 111.09 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -138.6 159.98 40.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 64.33 110.876 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -145.72 160.37 41.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 73.14 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -176.95 156.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 60.2 110.848 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -65.14 172.38 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.835 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 53.57 -170.07 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 44.31 110.83 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.24 106.12 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 74.05 110.83 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -173.05 -47.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.14 111.097 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -44.55 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 64.52 110.861 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.35 -18.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 71.32 111.133 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.507 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.41 -28.54 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.1 111.129 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.3 -20.5 29.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.882 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -84.02 -48.45 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 73.23 110.863 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.13 -24.95 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 71.12 111.142 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 71' ' ' PHE . 2.1 tt -55.66 -36.91 67.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 54.34 110.925 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -18.96 65.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.902 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -39.69 49.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 54.42 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.744 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -88.02 -27.84 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.117 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.685 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.6 t80 -80.87 -18.94 45.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.941 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.33 -45.73 65.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 63.44 110.864 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 20' ' ' PHE . 68.1 mt -51.84 -40.33 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 52.13 111.145 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.4 m -81.03 -20.96 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.898 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -67.56 -59.06 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 63.23 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.565 HD11 HG23 ' A' ' 119' ' ' THR . 14.6 pt -86.02 -19.96 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 73.34 111.125 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.34 -18.16 73.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 61.04 112.483 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 p -91.99 -37.55 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 71.45 111.171 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -68.68 -18.03 64.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.859 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.13 -20.99 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.844 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.32 -20.95 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.01 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.68 -53.71 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.898 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.491 ' HB1' ' HE2' ' A' ' 115' ' ' TYR . . . -54.47 -24.77 21.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.54 111.083 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.46 -40.37 79.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 71.23 112.504 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.485 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -89.27 -21.52 23.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 55.34 110.943 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -78.96 -36.11 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 61.03 110.934 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.962 HG23 HD13 ' A' ' 111' ' ' LEU . 1.1 mp -75.57 -51.0 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.151 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -53.86 -58.53 6.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.872 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.42 -34.02 33.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 72.15 110.918 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -62.58 -42.83 99.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.01 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.705 ' NE2' HD12 ' A' ' 111' ' ' LEU . 8.3 mt-30 -77.76 -43.22 31.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.891 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.7 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 64.43 110.873 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.55 21.96 44.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 70.01 112.494 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.93 -172.82 21.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 74.14 112.484 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.18 -179.09 19.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.816 -0.707 . . . . 62.55 112.509 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.68 -101.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 71.31 112.503 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.17 152.7 6.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 32.41 112.508 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.95 -165.15 27.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 41.13 112.469 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -9.9 27.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.699 2.266 . . . . 73.5 112.362 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 54' ' ' VAL . 5.1 mt -73.86 -34.06 64.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 63.43 110.934 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.658 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -66.83 -37.87 85.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.94 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -33.17 75.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 65.33 110.881 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 56' ' ' VAL . 42.6 t -86.24 -29.02 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 60.42 111.117 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 50' ' ' LEU . 42.2 t -80.88 -27.64 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 55.34 111.112 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -89.19 -24.11 22.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 64.34 110.898 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.591 HG23 HD21 ' A' ' 91' ' ' LEU . 5.1 p -90.05 -27.86 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.14 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.404 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 11.9 mm -90.79 -26.28 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.121 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mm-40 -52.36 -59.98 7.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 71.12 110.856 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.83 ' HG3' HD13 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.78 -21.66 33.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.249 . . . . 61.12 112.359 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -66.86 -33.28 75.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 62.32 110.884 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -54.54 -61.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.917 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -25.15 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.879 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.46 -24.47 36.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.52 110.876 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 67' ' ' THR . 0.1 OUTLIER -55.63 -34.71 65.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 61.41 110.85 -179.77 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.36 -21.0 62.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 52.23 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.591 HD22 ' HD3' ' A' ' 80' ' ' LYS . 29.6 mt -74.96 -47.57 28.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 71.22 110.89 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 64' ' ' SER . 9.2 t -65.19 -14.29 60.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.21 111.137 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.94 -13.65 33.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 65.14 112.42 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -21.37 21.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 74.22 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.719 HG21 ' HG2' ' A' ' 81' ' ' MET . 3.0 t -86.68 -31.84 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 52.31 111.123 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CB ' HD12 ' A' ' 16' ' ' LEU . 12.3 m-85 -92.24 0.97 57.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -104.98 -64.16 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.928 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -151.8 71.62 8.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.664 0.745 . . . . 73.43 110.874 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.29 17.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 63.44 112.352 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.4 43.46 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 64.25 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.87 164.8 0.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 71.15 110.88 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -14.72 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 64.02 110.863 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.43 44.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.479 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' HG22 ' A' ' 82' ' ' THR . 4.2 mm-40 -57.19 -59.52 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.966 0.412 . . . . 44.5 110.897 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.591 ' HD3' HD22 ' A' ' 66' ' ' LEU . 1.6 mmtt -81.02 -19.98 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 61.22 110.901 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.719 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.2 mtt -71.15 -50.98 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.846 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 79' ' ' GLU . 6.5 t -55.35 -28.19 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.24 111.145 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 87' ' ' VAL . 56.4 mt-10 -88.01 -19.98 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 62.22 110.908 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.11 -21.01 31.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.853 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -82.64 -50.22 8.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.936 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.7 t -62.11 -17.97 59.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.907 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 83' ' ' GLU . 3.1 t -72.93 -31.79 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 74.42 111.155 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.7 mt -81.99 -34.89 29.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 61.51 110.929 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 92' ' ' THR . 0.0 OUTLIER -77.73 -35.67 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.888 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -80.72 -19.96 43.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.83 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.9 tp -72.98 -47.93 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.922 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.2 t -53.95 -26.88 27.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 72.32 111.147 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.52 -27.15 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 72.1 110.877 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -28.8 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.933 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 39.0 tp -83.25 -48.58 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 70.43 110.931 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -57.63 -26.54 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.931 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -12.94 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 63.05 110.894 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.658 HD13 ' CE2' ' A' ' 51' ' ' TYR . 1.8 tp -52.0 -24.38 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.165 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.87 -19.46 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 71.03 111.156 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -85.32 -20.03 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.857 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.638 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -103.65 -55.47 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 55.25 110.928 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.638 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.05 81.47 26.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 74.34 111.089 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -3.44 12.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 63.3 112.375 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -35.38 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 69.8 p -90.6 -15.39 30.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.45 111.201 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.9 t -52.81 -23.96 7.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.461 . . . . 64.44 110.885 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.07 -18.42 34.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 73.55 110.853 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.506 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.87 -14.27 56.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 63.32 111.079 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.57 -57.49 8.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 73.32 111.154 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.4 Cg_endo -69.68 -14.12 35.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.715 2.277 . . . . 72.55 112.358 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.962 HD13 HG23 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -84.35 -61.3 1.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.918 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 108' ' ' ALA . 1.4 tt -77.21 -22.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 73.4 111.103 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.18 -26.86 13.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 35.23 112.479 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.28 -31.83 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 75.44 110.864 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.491 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 4.7 m-85 -85.37 -34.25 21.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 74.03 110.946 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 73.33 110.875 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -28.14 65.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 64.04 110.931 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -60.26 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.03 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.565 HG23 HD11 ' A' ' 26' ' ' ILE . 2.3 m -66.54 -39.95 88.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.145 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -56.12 -25.76 47.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 70.12 110.92 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.88 -22.49 27.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.816 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.15 -27.23 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.898 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 119' ' ' THR . 59.1 t -56.15 -24.92 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.109 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.13 -20.0 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.9 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -43.78 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 74.15 110.872 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.744 ' HA ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -58.61 -41.08 85.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 61.43 110.836 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.3 pt -77.26 -24.38 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 62.34 111.134 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -74.5 -44.25 52.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.881 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.49 HD12 ' CG2' ' A' ' 19' ' ' VAL . 38.0 mt -58.37 -45.0 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.141 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.566 HG21 HG12 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -78.9 -22.53 45.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.175 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.08 -18.55 47.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.869 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.09 -20.47 38.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 51.53 110.87 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -74.03 -20.0 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.4 111.191 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.03 -23.82 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.35 111.165 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.31 -33.58 43.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.89 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -39.16 18.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 63.52 111.132 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -60.62 -41.04 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 74.41 110.861 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -67.97 -49.09 63.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.38 -72.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 71.05 110.862 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 54.24 110.873 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.827 0.346 . . . . 74.23 110.881 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.63 118.22 22.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 72.23 111.057 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -106.11 -41.92 5.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 51.22 110.842 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -145.47 144.66 30.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -147.36 -58.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.818 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.638 ' H ' HG21 ' A' ' 136' ' ' THR . 0.1 OUTLIER 63.26 169.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 71.43 110.836 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.02 -76.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 63.02 110.864 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.641 ' HB3' HD13 ' A' ' 12' ' ' ILE . 4.0 m170 63.52 105.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.824 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -173.34 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 51.11 111.11 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 16.3 mmt -80.43 -44.58 19.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -90.25 -18.96 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 71.34 111.163 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.641 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.5 OUTLIER -83.45 -28.5 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.22 111.172 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -83.93 -20.51 32.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.889 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.44 -41.9 31.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.858 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.744 HG21 HG21 ' A' ' 129' ' ' ILE . 7.1 mm -56.1 -25.0 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 51.31 111.132 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -54.71 -42.54 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.914 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' N ' HD23 ' A' ' 16' ' ' LEU . 21.7 mttt -61.51 -18.81 60.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.21 110.895 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 t -77.17 -39.04 50.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 63.3 110.857 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.09 -28.18 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 41.35 111.191 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.89 -18.95 45.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 60.01 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.11 -49.68 48.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -38.74 72.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 64.22 110.913 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.3 mt -51.73 -41.7 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 64.44 111.166 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.0 -21.01 40.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 54.11 110.892 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -59.02 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.862 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 tt -86.04 -19.99 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.1 111.12 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.41 -24.63 76.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 64.03 112.441 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -91.99 -31.54 15.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.286 . . . . 72.12 111.129 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -70.23 -17.96 63.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.901 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.77 -24.13 44.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 72.25 110.83 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -71.19 -20.92 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.2 111.111 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -87.69 -55.5 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.25 110.919 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.26 -26.29 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 73.35 111.074 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.42 -40.4 91.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 60.33 112.492 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.43 -21.86 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 75.4 110.851 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.69 -35.39 45.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.446 HG12 HD12 ' A' ' 111' ' ' LEU . 1.1 mp -76.32 -50.41 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 71.45 111.176 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -55.83 -56.42 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 60.43 110.856 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mp -51.33 -36.65 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 44.14 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.56 -41.49 88.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 23.43 110.854 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.18 -40.51 67.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.936 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -179.53 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.861 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.15 16.66 49.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 34.52 112.527 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -101.49 -174.48 28.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.738 . . . . 55.23 112.454 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.08 163.05 10.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 75.51 112.494 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.83 -61.25 7.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 72.44 112.527 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.34 -171.88 48.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 53.02 112.477 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.27 -178.35 19.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 71.44 112.47 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -10.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 63.44 112.327 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.16 -27.16 39.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 61.1 110.899 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.92 -36.99 85.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 61.11 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.31 -52.03 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.886 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.23 -32.15 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 75.11 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -72.98 -36.49 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.14 111.095 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -85.04 -24.53 28.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.11 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.48 -45.14 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 44.1 111.118 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.4 mm -75.12 -22.7 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 53.3 111.104 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.3 mt-10 -51.41 -60.51 5.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 71.5 110.907 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.811 ' HG3' HD13 ' A' ' 91' ' ' LEU . 54.2 Cg_endo -69.79 -26.41 27.46 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.68 2.253 . . . . 72.54 112.354 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -32.71 74.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.878 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -53.04 -57.12 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 65.31 110.859 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -25.49 41.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.904 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.46 -24.88 31.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 64.43 110.882 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -39.27 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.868 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.87 -24.76 58.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 71.2 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.85 -34.31 76.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 m -62.65 -19.26 63.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.35 111.129 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.53 -13.84 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 62.42 112.477 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.802 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.7 tp -91.05 -9.12 46.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.846 0.355 . . . . 71.01 110.895 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.589 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.06 -31.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 63.21 111.086 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -98.07 1.17 47.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.53 110.918 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -123.09 -58.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.909 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.76 73.53 2.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.716 . . . . 72.04 110.929 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.17 17.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.7 2.267 . . . . 73.14 112.349 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 m -104.19 -15.81 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.119 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.96 -170.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 50.41 110.883 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.7 p -63.28 -16.52 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 70.32 110.839 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.85 37.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 65.53 112.469 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.89 -52.37 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 63.51 110.906 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.802 ' HD2' HD23 ' A' ' 69' ' ' LEU . 1.8 mmtt -81.01 -20.02 42.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 50.03 110.89 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.589 ' HG2' HG21 ' A' ' 70' ' ' VAL . 17.1 mtt -78.62 -51.88 9.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.896 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 t -51.93 -29.6 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 64.53 111.089 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 87' ' ' VAL . 19.2 tt0 -85.83 -30.17 23.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 64.43 110.908 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -26.0 50.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 64.43 110.895 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.77 -37.68 29.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 64.43 110.883 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -17.98 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.897 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 83' ' ' GLU . 4.9 t -72.9 -27.99 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.52 111.134 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.5 mt -86.03 -35.5 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 64.01 110.912 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.49 ' O ' HG22 ' A' ' 92' ' ' THR . 4.2 tppt? -77.5 -35.68 53.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.9 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 56.7 m -80.74 -19.94 43.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.877 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.811 HD13 ' HG3' ' A' ' 59' ' ' PRO . 2.0 tp -73.09 -47.47 44.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 52.43 110.894 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.1 t -53.73 -27.4 28.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.179 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -31.01 61.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.878 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -23.06 32.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.05 110.882 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.5 tp -83.11 -39.97 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.947 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -66.51 -30.45 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.897 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -12.2 61.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.907 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 tp -51.73 -23.58 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 74.51 111.168 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.43 -19.88 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 63.25 111.115 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.75 -19.83 32.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 61.21 110.888 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.644 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.65 -55.33 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.929 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.94 80.94 28.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.626 0.726 . . . . 75.14 111.179 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -3.37 11.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.735 2.29 . . . . 65.43 112.331 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -35.43 75.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 65.51 110.885 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.5 p -90.77 -15.52 30.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.167 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.3 t -55.09 -22.17 15.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.14 110.848 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.14 -18.32 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 24.45 110.862 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.9 -14.26 56.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 52.53 111.094 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.535 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.61 -57.5 8.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.655 0.74 . . . . 75.34 111.13 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.81 -13.97 35.26 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.663 2.242 . . . . 74.43 112.332 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.446 HD12 HG12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.41 -61.28 1.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 73.32 110.897 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 108' ' ' ALA . 1.4 tt -77.18 -22.15 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.51 111.103 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.79 -27.47 13.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 44.31 112.501 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -61.62 -34.81 76.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.805 0.336 . . . . 70.23 110.942 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.37 -33.11 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.965 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -65.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 74.35 110.912 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.47 -25.01 61.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 72.42 110.874 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -59.57 5.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.863 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.0 p -64.87 -37.07 86.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.143 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.97 -39.92 63.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.863 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.33 -17.25 46.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.911 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.07 -50.64 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.24 110.888 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.81 -25.3 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 64.42 111.095 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.422 ' O ' HD12 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -61.58 -20.64 63.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.94 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -28.11 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 53.33 110.892 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.48 ' HA ' HG21 ' A' ' 19' ' ' VAL . 21.6 m -52.1 -36.34 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 70.04 110.83 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -83.94 -37.73 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 72.11 111.155 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -40.57 64.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.911 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.744 HG21 HG21 ' A' ' 15' ' ' ILE . 58.5 mt -67.52 -55.89 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 65.13 111.196 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.546 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -59.44 -22.5 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.167 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.06 -18.61 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.15 110.862 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -20.18 35.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.891 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -74.89 -19.69 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 74.11 111.124 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -63.78 -22.94 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.112 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -52.18 -33.15 39.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 61.21 110.875 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.638 HG21 ' H ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -94.8 -41.29 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 63.12 111.105 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -29.68 66.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.35 110.86 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -72.26 -39.69 68.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.867 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -61.05 -74.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.874 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 74.03 110.853 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.782 0.325 . . . . 75.2 110.929 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.89 -61.59 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 61.04 111.113 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.5 m170 53.39 81.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.825 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -171.77 97.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 71.25 110.877 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -141.7 177.37 8.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 71.04 110.844 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -177.76 33.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 75.22 110.846 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.25 -169.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 64.4 110.853 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.9 m80 63.4 -177.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 62.45 110.874 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.52 -46.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 54.44 111.088 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -32.27 47.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.857 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.71 -19.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 75.43 111.089 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -28.61 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.106 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -63.76 -30.82 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.894 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -29.14 42.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 55.1 110.927 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 mm -56.11 -24.96 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.598 HD13 ' CD1' ' A' ' 71' ' ' PHE . 45.7 tp -55.39 -33.57 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 45.25 110.955 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -18.95 61.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 51.22 110.904 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.4 t -77.97 -38.13 45.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.896 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.732 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.04 -28.31 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.132 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.435 ' CE2' HG21 ' A' ' 67' ' ' THR . 0.1 OUTLIER -80.91 -18.97 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.892 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -72.65 -47.81 44.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.844 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -37.27 70.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.01 110.882 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.0 mt -51.75 -40.52 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.136 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.09 -20.95 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 61.41 110.85 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -69.87 -59.06 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.868 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tp -70.52 -20.02 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 54.03 111.094 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.02 -15.99 79.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 73.11 112.559 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.2 m -90.71 -21.02 21.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 74.2 111.108 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -84.09 -31.82 25.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 72.44 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -17.98 65.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 50.02 110.88 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.18 -20.48 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.121 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -86.8 -55.44 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 73.42 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.17 -22.45 28.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 63.12 111.082 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.74 -40.47 31.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.469 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' O ' HD23 ' A' ' 39' ' ' LEU . 26.3 mmm-85 -88.67 -20.14 25.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 73.21 110.899 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -80.36 -38.16 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 72.1 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.67 -48.83 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.134 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.04 -59.17 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.882 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.61 -33.86 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.908 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t -59.49 -42.01 91.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.1 110.881 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 108' ' ' ALA . 6.3 mt-30 -82.62 -44.34 15.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.868 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.85 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.875 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.23 11.78 59.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 74.22 112.473 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.49 -157.51 8.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.745 . . . . 73.02 112.459 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.34 110.14 2.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 63.42 112.524 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.21 -132.71 37.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.74 . . . . 72.3 112.452 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.21 158.94 3.03 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.696 -0.764 . . . . 52.33 112.47 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.92 -165.26 30.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 70.23 112.516 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -9.79 26.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.221 . . . . 73.31 112.358 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.04 -30.75 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.91 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -72.98 -34.27 66.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.96 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -39.6 93.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 61.13 110.887 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -26.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.25 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t -77.1 -31.43 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 75.1 111.095 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.24 -24.66 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 63.1 110.855 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -86.09 -45.34 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 63.24 111.135 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.5 mm -74.59 -22.65 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 73.01 111.105 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.9 mt-10 -52.01 -60.73 5.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.697 0.76 . . . . 72.25 110.87 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.667 ' HG3' HD13 ' A' ' 91' ' ' LEU . 53.1 Cg_endo -69.8 -24.87 29.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 73.33 112.337 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -31.18 71.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 53.12 110.945 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -60.89 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 53.43 110.89 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -55.9 -25.45 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.51 110.91 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.54 -24.68 33.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -37.24 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.835 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.03 -21.61 40.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.889 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.01 -36.01 74.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.894 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.453 HG22 HD11 ' A' ' 16' ' ' LEU . 10.4 m -62.63 -18.79 62.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 71.35 111.134 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.01 -13.85 35.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 62.42 112.446 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.705 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.5 tp -91.06 -8.79 47.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 74.53 110.89 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.408 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.07 -31.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 51.12 111.109 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CD1' HD13 ' A' ' 16' ' ' LEU . 25.8 m-85 -97.8 1.17 48.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 65.01 110.866 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -118.82 -60.35 1.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.906 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 mt -142.24 75.13 20.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 74.01 110.901 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.36 17.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 72.11 112.352 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.9 m -57.67 -22.6 46.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 61.33 111.15 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -176.16 -172.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.21 110.873 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.0 p -62.44 -17.22 58.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 64.04 110.861 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.77 29.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 65.32 112.46 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.61 -44.35 13.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 75.01 110.9 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.705 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -81.05 -33.43 33.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.912 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.489 ' SD ' HG23 ' A' ' 127' ' ' ILE . 17.4 mtt -69.46 -52.09 29.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 71.2 110.916 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 t -53.37 -28.88 31.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.145 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 87' ' ' VAL . 10.4 tt0 -79.32 -30.48 42.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.891 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -21.0 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.822 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -41.07 20.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.911 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -62.1 -17.98 59.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.884 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 83' ' ' GLU . 58.2 t -65.39 -26.35 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 60.42 111.112 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.99 -34.55 20.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.926 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 92' ' ' THR . 2.9 ttmt -77.43 -35.9 53.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 51.43 110.894 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.7 m -80.18 -19.92 45.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 63.42 110.873 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.667 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.6 tp -73.18 -48.3 36.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 72.1 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.42 -27.47 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.45 111.168 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -30.42 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 50.43 110.858 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -23.18 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.904 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.0 tp -83.11 -51.89 7.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 65.21 110.958 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -57.74 -26.71 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.931 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -12.93 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.85 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' A' ' 51' ' ' TYR . 1.6 tp -51.94 -24.31 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 64.04 111.126 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.607 HG22 ' HB2' ' A' ' 106' ' ' SER . 40.3 t -57.73 -19.71 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 71.23 111.137 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -84.88 -19.75 31.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 64.44 110.899 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.651 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.85 -55.43 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 71.54 110.933 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.651 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.03 81.36 27.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 61.32 111.138 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -3.55 12.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 65.42 112.308 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -35.54 75.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.882 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.71 -15.48 30.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 71.42 111.12 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.607 ' HB2' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -52.79 -24.04 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 71.04 110.835 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -59.14 -18.42 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 74.52 110.816 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.05 -14.16 56.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.33 111.115 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.51 -57.46 8.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 53.53 111.125 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.3 Cg_endo -69.73 -14.16 35.78 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.7 2.267 . . . . 73.21 112.363 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -61.36 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 65.11 110.914 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 108' ' ' ALA . 9.7 tt -76.95 -21.99 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.23 111.126 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.99 -26.9 12.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.658 -0.782 . . . . 45.42 112.491 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.54 -32.88 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.342 . . . . 74.05 110.89 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 47.0 m-85 -85.42 -32.54 22.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 63.13 110.852 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mtp -51.78 -65.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 75.41 110.88 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.12 -24.89 67.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 70.14 110.932 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.96 -62.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.55 110.858 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 123' ' ' VAL . 16.9 p -67.32 -38.07 84.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 75.21 111.173 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -54.55 -27.86 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.09 -26.45 28.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 72.35 110.88 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -84.53 -26.34 28.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 73.35 110.855 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 119' ' ' THR . 94.2 t -56.09 -25.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 73.11 111.095 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -60.99 -24.68 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 65.53 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.3 t -53.43 -34.91 59.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 65.11 110.858 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.732 ' HA ' HG21 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -52.01 -51.16 59.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.88 -179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.489 HG23 ' SD ' ' A' ' 81' ' ' MET . 1.8 mp -83.98 -24.03 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 64.24 111.155 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -33.07 69.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 65.44 110.956 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.16 -57.41 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 70.24 111.139 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 134' ' ' ILE . 1.3 p -58.0 -22.53 50.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.24 111.151 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.05 -18.47 46.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 65.13 110.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.59 -25.59 28.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -25.18 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 62.4 111.118 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 130' ' ' THR . 1.4 pp -68.49 -22.56 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.123 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -31.07 33.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 71.01 110.882 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -36.49 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 74.02 111.118 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -36.14 80.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 52.52 110.881 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -67.23 -50.45 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.868 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -54.77 -73.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 72.22 110.905 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 72.21 110.862 -179.838 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.703 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.786 0.327 . . . . 74.32 110.858 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.518 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.93 -47.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.44 111.103 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.1 -44.47 19.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.923 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.3 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.2 111.105 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.703 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.4 -28.54 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 64.1 111.148 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.79 -19.02 59.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 65.13 110.864 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -79.59 -36.83 37.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.865 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -56.05 -25.03 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 71.33 111.13 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -52.26 -52.23 53.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 72.01 110.913 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -61.4 -18.95 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.939 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -38.86 50.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.885 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.666 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -87.99 -28.1 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 70.3 111.124 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.586 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.86 -18.89 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 74.54 110.822 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -72.3 -57.91 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 71.14 110.905 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -39.43 71.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.87 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 20' ' ' PHE . 53.2 mt -51.98 -33.72 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 51.41 111.118 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.2 m -81.07 -29.02 35.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.838 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.51 -59.08 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 61.34 110.896 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 tt -86.08 -19.94 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.21 111.107 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.72 -43.53 18.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 65.45 112.45 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.3 m -73.62 -29.93 62.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 71.05 111.127 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.35 -30.98 70.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -18.67 63.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.859 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.67 -20.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 73.52 111.122 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.19 -59.18 2.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 60.33 110.863 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.82 -22.08 33.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 74.2 111.092 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.76 -38.94 26.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 61.31 112.447 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.53 -23.56 23.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 64.31 110.827 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.02 -38.91 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 64.54 110.939 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.998 HG23 HD13 ' A' ' 111' ' ' LEU . 1.3 mp -74.47 -41.4 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.04 111.114 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.11 -59.26 5.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.42 110.9 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.8 mm? -51.09 -33.15 24.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t -59.8 -41.25 90.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.896 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.536 ' OE1' ' HB2' ' A' ' 108' ' ' ALA . 3.5 mt-30 -84.17 -44.05 14.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 75.21 110.905 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.85 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.02 19.51 56.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 64.32 112.473 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.11 -105.43 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 45.55 112.538 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.84 -144.3 17.13 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 73.1 112.519 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.21 -27.8 24.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 72.24 112.502 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.9 -140.29 3.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 72.22 112.46 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.54 -165.11 24.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 63.35 112.441 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -9.7 26.72 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 75.42 112.329 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.27 -22.21 59.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 65.01 110.952 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -22.91 61.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 73.45 110.973 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.484 ' HD2' HG23 ' A' ' 53' ' ' VAL . 1.3 t80 -80.48 -35.5 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.01 110.835 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.484 HG23 ' HD2' ' A' ' 52' ' ' PHE . 54.6 t -88.21 -27.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.32 111.16 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 t -75.66 -34.07 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 64.11 111.148 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.491 ' OD1' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -86.07 -24.55 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 61.2 110.917 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.7 t -86.26 -42.15 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 74.4 111.082 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.9 mm -78.44 -23.66 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 64.34 111.101 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.532 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.5 tt0 -51.06 -58.53 10.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.671 0.748 . . . . 64.45 110.909 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.75 -29.93 23.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.267 . . . . 72.52 112.335 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.3 m -64.19 -37.24 86.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -58.78 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 64.12 110.917 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -25.69 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.33 110.94 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.463 ' HA ' HD12 ' A' ' 66' ' ' LEU . 2.2 t80 -83.28 -24.85 32.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 65.31 110.898 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -37.62 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 72.22 110.82 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -80.5 -22.22 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 65.24 110.922 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.695 HD13 ' OG ' ' A' ' 84' ' ' SER . 96.4 mt -71.7 -42.02 67.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 62.33 110.951 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 20' ' ' PHE . 12.4 m -62.45 -17.98 60.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.154 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.85 -12.74 42.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 63.13 112.457 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.794 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.9 tp -91.03 -8.41 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 70.4 110.864 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.648 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.6 t -95.1 -31.56 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 64.23 111.081 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.12 1.14 44.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.814 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -123.21 -57.72 1.67 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 70.31 110.917 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.0 tp -114.22 72.41 2.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 71.14 110.941 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 128.93 16.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 54.34 112.374 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.4 m -100.49 -15.79 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.54 111.159 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.12 -170.52 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 65.43 110.882 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -16.59 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.903 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.96 38.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.5 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.05 -68.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 64.42 110.902 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.794 ' HD2' HD23 ' A' ' 69' ' ' LEU . 8.2 mmtt -56.21 -25.15 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 62.2 110.913 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.648 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.5 mtt -78.57 -61.03 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 74.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -57.5 -25.83 60.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 44.21 111.132 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.18 -31.57 38.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.1 110.9 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.695 ' OG ' HD13 ' A' ' 66' ' ' LEU . 69.3 m -85.06 -26.39 27.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.2 110.856 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -35.05 79.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 75.5 110.907 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -17.93 59.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.877 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -80.42 -28.45 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 72.55 111.137 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.66 -36.78 79.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.921 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.469 ' O ' HG22 ' A' ' 92' ' ' THR . 2.2 mtpt -79.9 -33.76 39.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.44 110.891 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -81.12 -19.91 42.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 42.44 110.831 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.531 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.4 tp -70.12 -46.17 65.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.0 t -53.51 -27.17 24.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 72.35 111.177 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -27.0 37.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.903 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -27.98 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 74.22 110.898 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.491 HD13 ' OD1' ' A' ' 55' ' ' ASN . 14.8 tp -83.18 -39.52 20.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.903 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.405 ' O ' HG23 ' A' ' 99' ' ' VAL . 59.0 mttm -66.45 -30.43 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 72.52 110.876 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -12.21 61.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.921 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -51.78 -23.75 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.102 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.493 HG22 ' HB2' ' A' ' 106' ' ' SER . 40.4 t -57.53 -19.82 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 64.22 111.151 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.69 -19.96 31.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 65.05 110.842 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -103.59 -55.52 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.871 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.03 81.29 27.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.668 0.747 . . . . 53.03 111.156 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -3.97 13.05 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 74.45 112.398 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -35.7 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.876 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.3 p -90.91 -15.41 29.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.23 111.142 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.493 ' HB2' HG22 ' A' ' 99' ' ' VAL . 1.3 t -52.72 -24.36 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 73.33 110.829 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.15 -18.51 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 54.31 110.866 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.536 ' HB2' ' OE1' ' A' ' 41' ' ' GLN . . . -82.25 -14.02 56.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.069 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.535 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.32 -57.44 8.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 64.21 111.115 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.79 -14.39 35.92 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.27 . . . . 72.22 112.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.998 HD13 HG23 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -84.34 -61.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 62.3 110.942 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 108' ' ' ALA . 11.3 tt -76.6 -21.99 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 43.1 111.182 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.21 -27.02 14.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 53.4 112.471 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -60.96 -31.7 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.336 . . . . 60.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -85.2 -31.49 23.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 72.03 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 74.41 110.853 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -29.13 65.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 65.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -62.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.864 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.6 m -65.17 -36.46 84.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 70.42 111.111 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.556 ' O ' HG12 ' A' ' 123' ' ' VAL . 0.0 OUTLIER -54.62 -33.81 61.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 75.45 110.897 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.94 -17.31 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 64.32 110.915 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -86.0 -36.1 19.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 70.32 110.886 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 120' ' ' LYS . 13.0 p -57.73 -22.95 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 70.12 111.125 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -59.28 -21.63 59.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -30.0 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.04 110.855 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.8 p -52.12 -50.4 61.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 72.13 110.888 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 127' ' ' ILE . 2.8 mp -78.16 -24.01 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.25 111.157 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -51.02 63.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 75.51 110.902 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.666 HD12 HG23 ' A' ' 19' ' ' VAL . 28.6 mt -60.36 -49.64 83.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 73.51 111.115 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.466 HG21 ' HE3' ' A' ' 81' ' ' MET . 0.1 OUTLIER -58.47 -22.49 54.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 73.23 111.171 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.613 ' O ' HG22 ' A' ' 134' ' ' ILE . 0.3 OUTLIER -59.92 -18.73 47.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.932 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -84.75 -33.4 23.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 74.4 110.92 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.1 -21.46 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 75.35 111.146 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 131' ' ' GLU . 1.1 tt -52.8 -28.16 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.21 110.877 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.724 ' HB3' HD13 ' A' ' 12' ' ' ILE . 1.3 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.802 0.334 . . . . 75.14 110.86 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.503 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.29 -47.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 74.21 111.094 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.6 mmt -80.24 -44.51 19.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 52.02 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.34 -18.95 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 73.31 111.121 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.724 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.48 -28.41 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 65.43 111.138 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -86.07 -19.67 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 52.35 110.816 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -82.43 -49.63 9.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.13 110.85 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.63 -25.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.117 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.601 HD13 ' CD1' ' A' ' 71' ' ' PHE . 4.6 tp -52.28 -52.03 55.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 53.45 110.932 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -61.79 -18.96 61.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 60.42 110.864 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.91 -38.22 46.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 65.34 110.846 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.886 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -87.97 -28.16 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.51 111.096 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.95 -18.91 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 73.45 110.871 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.49 -44.52 57.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.865 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -40.59 86.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 71.1 110.899 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 20' ' ' PHE . 23.0 mt -51.76 -36.74 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 42.43 111.126 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.449 ' O ' HG23 ' A' ' 28' ' ' THR . 1.6 m -81.0 -26.19 36.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.909 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -59.05 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.893 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.6 tt -81.9 -19.97 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.34 111.128 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.732 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -73.51 -46.95 23.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 70.33 112.53 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 24' ' ' CYS . 17.1 p -51.99 -42.2 62.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 62.35 111.149 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.97 -24.56 58.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 60.02 110.911 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.02 -20.43 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.808 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 27' ' ' GLY . 59.3 t -66.31 -20.56 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.072 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.61 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.34 -23.19 35.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.21 111.091 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -73.75 -40.73 44.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 75.04 112.479 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.488 ' O ' HD13 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.79 -22.35 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 62.32 110.87 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mp -78.19 -36.05 47.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.883 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.781 HG23 HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -72.82 -39.38 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 75.3 111.124 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -45.92 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 63.35 110.89 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 35' ' ' ARG . 1.7 mp -51.66 -45.17 63.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 75.31 110.946 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.68 -35.73 63.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.874 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 36.6 mm-40 -61.82 -36.44 81.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.855 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -179.56 -34.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.48 16.27 49.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 65.22 112.471 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.51 -62.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 53.42 112.516 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.6 -133.28 49.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 64.21 112.502 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.15 -80.13 1.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 53.41 112.476 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.39 -139.49 3.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 15.4 112.469 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.49 -179.16 42.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 75.43 112.45 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -10.82 29.48 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.662 2.241 . . . . 74.04 112.353 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.502 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.31 -21.93 42.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 65.35 110.918 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -32.08 49.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.971 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.496 ' HD2' HG13 ' A' ' 53' ' ' VAL . 12.1 t80 -63.62 -56.42 15.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 74.4 110.928 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.496 HG13 ' HD2' ' A' ' 52' ' ' PHE . 14.5 m -67.8 -31.92 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 51.43 111.139 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.79 -35.21 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 64.21 111.1 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.422 HD22 ' N ' ' A' ' 55' ' ' ASN . 1.6 m-80 -86.77 -24.61 25.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.839 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.6 t -85.56 -45.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 44.03 111.134 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.11 -22.65 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 62.21 111.144 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.43 -60.76 5.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 62.12 110.863 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.4 Cg_endo -69.74 -29.81 23.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.687 2.258 . . . . 62.04 112.33 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -28.37 68.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 71.01 110.937 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -57.16 -56.65 19.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -26.88 41.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 71.14 110.894 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.56 ' HB2' HG11 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -85.0 -25.03 27.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 71.2 110.869 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.2 m -56.04 -41.29 74.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 72.11 110.86 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -57.03 -28.6 62.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 53.12 110.879 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.732 HD13 ' HA ' ' A' ' 84' ' ' SER . 19.9 mt -71.09 -40.64 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 60.14 110.925 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -62.48 -20.02 64.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 64.42 111.153 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.55 -13.83 36.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 62.13 112.426 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.4 tp -91.09 -7.88 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 72.32 110.952 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.4 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.07 -31.63 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 72.21 111.111 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.601 ' CD1' HD13 ' A' ' 16' ' ' LEU . 55.2 m-85 -98.76 1.14 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 72.24 110.84 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -118.54 -59.47 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.941 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 tp -142.94 75.13 17.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 72.13 110.951 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 129.28 17.38 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.692 2.261 . . . . 74.45 112.365 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -58.67 -21.38 54.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 72.11 111.14 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -176.55 -172.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.858 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.437 ' HB2' HG22 ' A' ' 134' ' ' ILE . 0.3 OUTLIER -62.35 -17.31 58.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 63.43 110.875 -179.788 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.92 29.91 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 65.13 112.494 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -84.75 -45.98 11.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.93 0.395 . . . . 73.21 110.882 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.681 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -78.06 -33.7 50.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 55.43 110.891 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.523 ' SD ' HG22 ' A' ' 127' ' ' ILE . 21.8 mtt -68.93 -55.42 11.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.849 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 t -52.59 -28.73 22.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 70.22 111.158 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.65 ' O ' HG23 ' A' ' 87' ' ' VAL . 29.4 mm-40 -78.29 -33.31 49.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 75.54 110.927 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.732 ' HA ' HD13 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -81.43 -26.08 35.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.51 110.824 -179.8 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -67.69 -49.07 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -62.2 -18.05 59.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.43 110.826 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 83' ' ' GLU . 84.3 t -75.16 -22.89 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 70.41 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.764 HD13 HG11 ' A' ' 123' ' ' VAL . 39.6 mt -69.88 -34.82 74.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.882 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -27.35 28.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 71.43 110.895 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.88 -19.89 28.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 61.42 110.848 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -71.87 -42.79 66.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 72.5 110.912 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 t -57.01 -23.66 47.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 65.24 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -37.64 50.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.855 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -34.15 76.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.87 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.44 -36.26 24.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 75.54 110.879 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -67.93 -32.52 73.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 70.41 110.897 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -12.35 61.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 75.14 110.905 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -23.78 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.138 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.59 -19.57 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 72.23 111.158 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.2 -20.04 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.843 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.646 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.63 -55.52 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 61.4 110.896 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.646 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.02 81.24 27.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 72.43 111.18 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.66 12.46 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.664 2.243 . . . . 71.14 112.38 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -35.52 74.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 53.52 110.868 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.6 p -90.78 -15.46 30.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.125 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.7 t -52.74 -24.17 8.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.32 110.886 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -59.27 -18.37 36.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 64.34 110.828 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.636 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -82.09 -14.08 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 60.44 111.09 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.46 8.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.648 0.737 . . . . 60.12 111.118 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.78 -14.27 35.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 74.32 112.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.781 HD13 HG23 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -84.37 -61.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.875 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' ' 34' ' ' GLY . 8.4 tt -76.65 -22.03 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.165 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.74 -27.49 13.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 61.13 112.474 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -61.84 -34.96 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 75.4 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -85.35 -29.03 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 64.1 110.941 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -65.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.875 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -28.52 64.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.872 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -43.34 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 73.41 110.902 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.9 m -80.35 -36.79 33.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 74.01 111.156 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.556 ' O ' HG12 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -56.6 -28.69 60.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.853 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.04 -16.94 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.912 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -85.98 -36.82 19.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 74.13 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 88' ' ' LEU . 13.5 p -56.32 -24.54 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 73.44 111.152 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.24 -21.64 59.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.901 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.1 m -58.95 -22.34 59.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 75.33 110.853 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.9 m -64.09 -56.56 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.33 110.824 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.523 HG22 ' SD ' ' A' ' 81' ' ' MET . 24.7 pt -66.25 -28.88 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 72.22 111.11 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -64.08 -46.05 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.894 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.886 HD12 HG23 ' A' ' 19' ' ' VAL . 20.3 mt -71.62 -54.47 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 72.44 111.14 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.551 ' O ' HG12 ' A' ' 133' ' ' VAL . 7.1 p -58.03 -22.53 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.22 111.133 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -18.61 47.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.85 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -82.85 -20.0 36.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.923 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -75.34 -20.22 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 64.44 111.124 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.437 HG22 ' HB2' ' A' ' 77' ' ' SER . 1.7 pp -57.32 -23.58 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.35 111.116 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 62.51 110.907 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.667 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.801 0.334 . . . . 65.4 110.844 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.92 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 75.54 111.044 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.3 mmt -80.23 -44.57 19.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.876 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.31 -18.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 65.43 111.084 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.46 -28.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 70.33 111.096 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.7 -19.69 30.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 63.35 110.857 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.77 -41.31 19.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.86 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.477 HG21 HG21 ' A' ' 129' ' ' ILE . 3.5 mm -53.56 -27.89 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.3 111.179 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -54.81 -41.82 71.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 63.02 110.895 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -65.69 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.886 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -40.15 47.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 72.02 110.84 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -88.06 -27.69 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 53.14 111.159 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.658 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.6 t80 -80.9 -18.94 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.882 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.33 -50.42 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 75.44 110.868 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -35.74 80.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 63.22 110.883 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 20' ' ' PHE . 48.3 mt -52.18 -35.88 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.173 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.99 -25.93 36.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 64.34 110.855 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -77.56 -59.04 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.927 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -20.0 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.14 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -82.79 -29.69 34.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 63.15 112.497 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -92.0 -21.01 20.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 62.44 111.168 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.42 -46.6 31.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 70.22 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -61.23 -23.36 65.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.5 t -68.01 -20.49 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 64.44 111.161 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -86.2 -59.19 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.863 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.87 -22.15 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.02 111.088 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.707 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -77.65 -39.02 26.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 72.01 112.492 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.427 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.43 -23.54 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 73.44 110.868 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.03 -39.01 51.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 61.1 110.898 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.42 -40.55 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 72.31 111.148 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.04 -59.35 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.851 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.8 mm? -51.28 -33.42 28.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.927 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -56.25 -42.16 76.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 52.24 110.857 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.667 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 17.2 mt-30 -78.89 -43.19 25.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 52.13 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.65 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.896 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.19 27.65 24.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 64.23 112.474 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.92 -171.06 12.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 70.54 112.489 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.74 154.14 30.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 75.3 112.532 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 51.98 -136.15 34.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 61.04 112.497 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.38 -156.73 0.19 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 73.44 112.469 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.76 -179.54 19.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 54.13 112.496 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -10.73 29.34 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.642 2.228 . . . . 74.42 112.366 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.517 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.63 -25.9 41.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 71.24 110.971 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.625 ' HE2' HD12 ' A' ' 98' ' ' ILE . 1.4 t80 -69.77 -37.18 76.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 75.45 110.858 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.404 ' HD1' HD21 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -69.09 -31.02 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 74.0 110.871 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.517 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.8 t -88.13 -28.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 43.11 111.125 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 50' ' ' LEU . 19.6 t -80.82 -29.26 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.41 111.141 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -87.53 -24.69 23.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.911 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.587 ' HA ' HD11 ' A' ' 91' ' ' LEU . 4.9 p -89.11 -27.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 51.31 111.153 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.14 -26.1 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 70.24 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mt-10 -51.31 -60.13 6.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.604 0.716 . . . . 71.44 110.865 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.721 ' HG2' HD13 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.79 -33.65 16.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 72.23 112.345 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -63.29 -31.01 72.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -57.45 11.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.8 40.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 62.12 110.879 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -24.86 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 70.11 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -37.18 73.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 72.33 110.816 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.57 -22.07 54.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.25 110.907 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.1 mt -69.17 -34.55 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 71.43 110.899 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.0 m -62.57 -19.49 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 73.44 111.193 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.19 -14.31 33.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 50.04 112.524 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.7 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.4 tp -91.09 -8.59 48.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 75.22 110.91 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.421 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.08 -31.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.4 111.148 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.532 ' HB2' HD12 ' A' ' 16' ' ' LEU . 48.6 m-85 -97.89 1.19 47.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 72.3 110.89 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -118.74 -60.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 73.13 110.89 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.1 tp -142.66 74.93 18.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 71.22 110.871 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 129.34 17.49 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.258 . . . . 73.13 112.361 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.2 m -57.44 -22.95 46.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 62.31 111.123 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -176.16 -172.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 74.44 110.861 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.8 p -62.33 -17.3 58.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.0 110.913 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.24 30.13 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 62.41 112.431 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.47 -43.93 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 52.31 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.7 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -81.05 -33.9 33.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 54.41 110.878 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.421 ' HG2' HG21 ' A' ' 70' ' ' VAL . 11.3 mtt -69.39 -52.08 30.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.875 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -53.21 -28.84 28.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 42.54 111.118 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.6 tt0 -77.3 -32.15 55.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.908 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -21.04 29.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 64.23 110.885 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -73.95 -47.6 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 75.44 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -62.14 -17.97 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 65.41 110.838 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 83' ' ' GLU . 93.4 t -72.12 -22.97 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 63.13 111.124 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 123' ' ' VAL . 37.6 mt -83.71 -37.09 23.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.906 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 92' ' ' THR . 0.5 OUTLIER -79.92 -34.13 39.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 64.33 110.914 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.6 p -80.39 -19.97 45.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.871 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.721 HD13 ' HG2' ' A' ' 59' ' ' PRO . 1.5 tp -69.19 -45.58 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.936 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.0 t -53.46 -27.28 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.152 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -26.92 35.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 62.43 110.897 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -27.95 29.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.03 110.938 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.404 HD21 ' HD1' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -83.2 -33.45 26.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.906 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -64.05 -24.31 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.885 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -12.12 60.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 61.2 110.898 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.625 HD12 ' HE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -51.44 -23.89 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 75.52 111.106 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.37 -19.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.2 111.099 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.98 -20.35 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 55.14 110.879 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.633 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.63 -55.44 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 71.14 110.941 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.9 mp -137.92 82.01 26.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 75.21 111.142 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -3.27 11.68 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 64.22 112.321 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -11.58 60.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.894 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.7 p -79.95 -14.12 58.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 64.21 111.155 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -49.37 -26.66 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 65.24 110.842 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -43.4 70.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.878 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.667 ' HB2' ' CD ' ' A' ' 41' ' ' GLN . . . -85.37 -15.08 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 60.34 111.154 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.6 -56.99 9.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 74.15 111.131 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.8 -14.21 35.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 71.33 112.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -43.58 14.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 70.4 110.909 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.707 HD12 ' HA2' ' A' ' 34' ' ' GLY . 12.4 tt -89.06 -22.12 6.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.35 111.135 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.92 -27.23 12.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 55.41 112.467 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -61.2 -33.96 74.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 52.4 110.872 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -85.34 -35.63 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.958 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 71.53 110.879 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.35 -25.01 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.896 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -42.4 88.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.858 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 93.7 m -66.23 -50.2 64.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 42.51 111.143 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 123' ' ' VAL . 3.8 mptp? -56.53 -34.24 66.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.908 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.99 -17.04 36.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -85.97 -38.43 17.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 44.45 110.899 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 88' ' ' LEU . 7.7 p -57.65 -23.11 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 64.45 111.117 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -59.14 -21.69 59.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.891 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 m -60.25 -38.39 83.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 64.51 110.844 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.515 ' HA ' HG21 ' A' ' 19' ' ' VAL . 58.8 m -52.08 -35.96 49.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.834 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.9 mp -84.08 -34.57 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 60.12 111.12 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -51.35 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 61.34 110.897 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.477 HG21 HG21 ' A' ' 15' ' ' ILE . 95.3 mt -60.11 -54.17 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 55.24 111.121 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -22.56 59.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 73.23 111.142 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -60.16 -18.46 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -84.71 -19.87 32.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.903 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.556 HG21 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.56 -25.72 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 62.21 111.123 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.77 -22.89 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 72.31 111.127 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.0 t30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.25 110.884 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.685 ' HB3' HD13 ' A' ' 12' ' ' ILE . 6.5 m80 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 72.43 110.831 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -173.13 -47.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 70.01 111.125 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.38 -44.51 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.01 110.853 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.29 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 72.15 111.158 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.43 -28.54 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 51.43 111.108 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.77 -18.44 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.879 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.68 -39.29 31.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.9 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.92 -25.01 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.102 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -50.31 63.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 75.21 110.904 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -61.67 -18.92 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.882 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -38.44 47.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 63.11 110.861 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.997 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.08 -28.24 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 54.05 111.116 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.654 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.93 -18.89 45.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 75.41 110.871 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -71.89 -58.06 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.838 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -42.81 67.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.891 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 20' ' ' PHE . 68.4 mt -51.78 -35.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.44 111.117 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.418 ' O ' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -81.03 -27.22 35.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 63.44 110.832 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -66.12 -58.95 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tp -82.53 -19.92 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 64.12 111.097 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.476 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -76.2 -15.99 81.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 51.42 112.494 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 24' ' ' CYS . 2.7 p -86.47 -32.8 20.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 71.51 111.173 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -71.47 -39.99 70.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 53.41 110.869 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.2 t -60.13 -27.52 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.821 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 27' ' ' GLY . 12.3 t -66.59 -20.49 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 63.23 111.165 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -86.79 -55.7 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.45 110.829 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.14 -22.59 29.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 72.14 111.078 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.48 -40.67 32.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 63.12 112.449 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.485 ' O ' HD23 ' A' ' 39' ' ' LEU . 7.3 mmm180 -88.54 -20.35 25.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 72.2 110.876 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.11 -38.08 32.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.918 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.431 HG12 HD12 ' A' ' 111' ' ' LEU . 1.2 mp -73.67 -50.01 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 63.23 111.171 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.79 -59.15 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.883 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.43 -33.87 32.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 64.1 110.929 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -69.0 -43.44 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 55.12 110.84 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.43 -42.39 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 61.4 110.93 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -179.63 -34.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.59 16.69 61.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 43.54 112.49 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -128.59 -179.2 15.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 40.53 112.476 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.06 114.37 1.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 60.44 112.526 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.22 -120.78 11.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 43.44 112.481 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.29 -152.99 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.724 . . . . 53.54 112.517 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.14 -164.89 23.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 72.13 112.457 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.66 26.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.659 2.239 . . . . 74.34 112.353 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.3 -25.99 59.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -25.68 68.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 53.42 110.933 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -76.74 -53.67 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 75.03 110.849 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.2 m -68.05 -32.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.105 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 t -71.91 -39.22 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 62.21 111.157 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -82.33 -24.72 34.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 t -84.97 -45.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 72.42 111.108 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.6 mm -74.96 -22.63 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.101 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.0 mt-10 -50.91 -60.66 5.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 61.04 110.883 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.707 ' CG ' HD22 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.74 -33.07 17.39 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 63.23 112.335 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.58 -30.69 71.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.846 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -56.99 -59.34 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -25.73 41.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 65.15 110.958 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -24.9 31.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 63.3 110.854 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -36.55 74.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 75.44 110.845 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.38 -21.01 53.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.907 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.3 mt -71.28 -35.43 71.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 65.02 110.909 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 m -62.39 -20.87 64.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.45 111.147 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.58 -12.9 42.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 60.12 112.491 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' A' ' 80' ' ' LYS . 12.1 tp -91.09 -10.33 42.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 70.14 110.914 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.656 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.6 t -95.11 -31.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.125 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -97.32 1.09 49.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.903 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -123.52 -58.02 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 71.01 110.908 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.57 HD12 HD11 ' A' ' 69' ' ' LEU . 74.3 mt -113.67 73.87 2.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.722 . . . . 63.23 110.882 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.0 16.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 70.14 112.349 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.3 p -109.58 -13.16 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.121 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -177.33 -179.12 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.881 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 p -59.54 -21.04 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 62.14 110.834 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.52 40.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 74.22 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.507 ' O ' HG22 ' A' ' 82' ' ' THR . 1.8 mm-40 -72.29 -48.19 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 64.11 110.869 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.771 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -81.14 -19.87 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 44.52 110.912 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.656 ' HG2' HG21 ' A' ' 70' ' ' VAL . 15.0 mtt -78.35 -41.34 33.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.906 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.3 t -56.16 -26.07 49.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 51.15 111.135 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.671 ' O ' HG23 ' A' ' 87' ' ' VAL . 45.4 mm-40 -88.03 -19.97 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.919 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 m -77.11 -27.68 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 62.45 110.847 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -85.06 -37.04 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.917 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -62.19 -18.03 59.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.847 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 83' ' ' GLU . 66.1 t -71.45 -29.89 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.42 111.122 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.8 mt -86.0 -34.26 20.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 72.53 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.479 ' O ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -77.72 -35.57 51.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.904 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.9 t -81.03 -19.98 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 64.15 110.884 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.707 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.1 tp -73.52 -47.71 38.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 64.45 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.1 t -53.47 -27.69 26.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 61.23 111.138 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -37.84 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.5 110.916 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -83.64 -22.9 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 61.53 110.932 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.0 tp -77.12 -38.85 51.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 64.53 110.933 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -68.3 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.861 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -11.96 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.864 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -23.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 62.14 111.094 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.4 p -57.42 -19.83 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 72.41 111.152 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -19.87 31.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 52.51 110.936 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.636 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.58 -55.41 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.95 80.97 28.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 55.21 111.14 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -3.58 12.31 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.283 . . . . 65.43 112.297 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -35.62 75.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 72.45 110.862 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.85 -15.61 29.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 73.12 111.096 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -24.2 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 64.43 110.849 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -59.2 -18.42 36.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 54.12 110.851 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.06 -14.2 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 71.12 111.078 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.546 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.45 -57.52 8.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.633 0.73 . . . . 74.01 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.74 -14.22 35.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.623 2.215 . . . . 74.13 112.381 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.431 HD12 HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -84.3 -61.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 61.34 110.953 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 108' ' ' ALA . 12.9 tt -76.99 -21.91 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 72.23 111.154 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.99 -27.15 12.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 74.3 112.493 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -61.07 -33.47 73.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 72.33 110.879 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -85.34 -30.74 23.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.894 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 71.2 110.842 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -24.93 68.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 75.3 110.898 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -62.01 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 64.02 110.875 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 123' ' ' VAL . 76.7 p -65.28 -36.03 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 63.33 111.138 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -35.39 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 43.51 110.914 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 -21.17 41.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -85.97 -27.25 25.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.943 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 119' ' ' THR . 94.7 t -55.02 -26.23 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 73.43 111.121 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.551 ' HG2' HD11 ' A' ' 127' ' ' ILE . 1.4 mt-10 -60.6 -19.96 59.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 43.13 110.896 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 m -52.05 -31.51 30.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.859 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -53.39 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 73.01 110.829 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.551 HD11 ' HG2' ' A' ' 124' ' ' GLU . 33.0 pt -75.86 -28.57 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 70.54 111.109 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -66.75 -43.61 83.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.35 110.875 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.997 HD12 HG23 ' A' ' 19' ' ' VAL . 20.1 mt -69.54 -57.34 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 70.24 111.137 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.548 ' O ' HG12 ' A' ' 133' ' ' VAL . 8.9 p -58.05 -22.48 50.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.123 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -18.59 48.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 64.51 110.896 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -82.58 -21.13 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.65 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -74.4 -19.02 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 75.53 111.188 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -61.15 -23.3 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.24 111.153 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 65.54 110.898 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.689 ' HB3' HD13 ' A' ' 12' ' ' ILE . 59.0 m-70 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.849 0.357 . . . . 73.12 110.838 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.506 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.59 -47.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 62.44 111.097 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.8 mmt -80.22 -44.53 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 70.21 110.88 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.29 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 52.33 111.13 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.41 -28.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.45 111.127 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.77 -19.55 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.841 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -83.96 -41.48 17.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 65.21 110.808 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -53.12 -28.39 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 62.51 111.174 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 17' ' ' LYS . 1.1 tt -51.96 -48.6 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.921 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' N ' HD23 ' A' ' 16' ' ' LEU . 7.8 mttm -60.66 -29.29 69.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.899 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -38.6 90.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 65.14 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.54 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.11 -28.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 65.12 111.167 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.692 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.9 -18.95 45.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.55 110.876 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -73.17 -57.62 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.1 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -51.51 -41.1 60.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 20' ' ' PHE . 66.5 mt -54.22 -34.77 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 62.31 111.123 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 t -81.02 -20.99 40.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.875 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -58.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -83.61 -20.05 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.138 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.03 -26.18 71.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 61.11 112.464 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.6 m -91.93 -36.44 13.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.741 0.305 . . . . 61.45 111.146 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.53 -35.51 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 62.24 110.908 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.8 t -65.94 -17.99 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 62.4 110.852 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.57 -20.54 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.23 111.157 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.79 -55.53 3.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.898 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -22.64 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.088 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.681 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -75.64 -40.61 31.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 34.21 112.463 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.478 ' O ' HD23 ' A' ' 39' ' ' LEU . 7.3 mmm180 -88.53 -20.03 25.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 70.31 110.862 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.53 -38.17 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.947 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.69 -47.4 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.41 111.123 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -57.54 -59.25 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 70.21 110.928 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.67 -33.7 34.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 64.15 110.949 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -39.87 86.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 63.01 110.869 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.88 -41.92 15.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 63.13 110.883 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.4 -45.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.91 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.0 27.93 23.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.759 . . . . 74.54 112.526 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.68 175.96 37.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 73.01 112.455 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.584 ' HA3' HG21 ' A' ' 102' ' ' ILE . . . 134.29 156.5 7.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 70.43 112.505 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.2 -62.19 5.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 34.24 112.477 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.39 147.19 47.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 65.53 112.464 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.38 -179.58 50.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 34.14 112.47 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -10.89 29.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 61.25 112.349 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.51 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.49 -26.64 41.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 63.24 110.867 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.03 -38.28 90.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 71.33 110.947 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -30.46 71.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.34 110.865 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.541 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.3 t -88.71 -27.96 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 73.44 111.111 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.2 t -80.9 -28.41 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 50.25 111.155 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -24.68 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.34 110.905 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -88.98 -28.09 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 75.31 111.129 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.3 mm -91.24 -25.94 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.153 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.31 -60.18 6.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 72.05 110.908 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.724 ' HG3' HD13 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.74 -33.83 15.86 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.695 2.263 . . . . 74.24 112.333 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.4 -30.32 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.883 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -56.57 -60.46 3.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -25.56 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 75.33 110.863 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -24.78 33.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.859 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -36.04 81.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 60.3 110.875 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.26 -21.17 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 62.21 110.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.39 -31.22 71.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.917 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 m -62.61 -21.16 65.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 42.45 111.136 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.46 -13.25 42.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 53.01 112.484 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.821 HD23 ' HD2' ' A' ' 80' ' ' LYS . 12.3 tp -91.08 -9.59 45.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 72.11 110.937 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.713 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.04 -31.68 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.138 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -97.86 1.15 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -123.08 -58.85 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.905 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 tp -113.62 74.03 2.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 75.54 110.891 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.08 16.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 72.54 112.33 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.1 p -108.94 -13.8 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.32 111.121 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -177.18 -179.31 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 74.24 110.837 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -59.6 -20.96 59.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 53.01 110.885 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -175.34 35.59 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 31.43 112.46 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.97 -47.04 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.931 0.396 . . . . 74.31 110.906 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.821 ' HD2' HD23 ' A' ' 69' ' ' LEU . 6.2 mmtp -81.02 -23.96 38.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.881 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.713 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.7 mtt -78.93 -48.85 13.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 62.44 110.875 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 t -55.27 -28.43 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 44.21 111.147 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.4 mm-40 -88.06 -19.95 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.97 -24.26 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.872 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -85.04 -36.96 20.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 62.43 110.863 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.1 t -62.15 -17.96 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 54.21 110.869 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' GLU . 15.8 t -72.14 -25.57 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 73.34 111.08 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.701 HD12 HG21 ' A' ' 123' ' ' VAL . 68.5 mt -85.97 -32.16 21.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.926 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -80.11 -33.94 38.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.88 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.4 t -81.05 -19.93 42.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 75.13 110.868 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.724 HD13 ' HG3' ' A' ' 59' ' ' PRO . 2.0 tp -71.77 -46.68 57.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 40.42 110.892 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.0 t -53.63 -27.38 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.163 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -30.35 59.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.891 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -23.01 32.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 71.53 110.901 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -32.44 30.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.907 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -68.79 -33.88 74.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 64.5 110.902 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -12.06 61.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.856 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 tp -51.83 -23.35 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.31 -19.83 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.31 111.093 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -20.08 31.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 60.32 110.866 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.64 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.64 -55.01 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.89 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.64 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.9 mp -137.79 81.0 29.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.74 . . . . 72.32 111.122 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -2.19 9.76 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 74.45 112.348 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 t -68.83 -12.21 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 61.24 110.859 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.4 p -90.16 -14.18 34.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 62.22 111.167 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.3 m -49.58 -26.36 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 73.52 110.877 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 m -70.1 -43.35 71.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 63.22 110.845 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -85.5 -15.09 43.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.54 111.126 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.74 -57.03 9.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 61.32 111.172 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.78 -13.63 34.89 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 42.23 112.371 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.22 -44.58 13.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.928 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.681 HD12 ' HA2' ' A' ' 34' ' ' GLY . 14.7 tt -89.09 -22.09 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 72.05 111.098 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.82 12.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 74.12 112.486 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -59.76 -31.09 69.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 75.13 110.897 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -85.42 -30.22 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.35 110.961 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -65.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 64.32 110.839 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.7 -28.26 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 71.22 110.942 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -59.84 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.871 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 123' ' ' VAL . 2.9 m -63.42 -38.28 90.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.187 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -23.07 67.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 61.1 110.881 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -84.74 -35.13 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.873 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.14 -21.62 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.926 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.701 HG21 HD12 ' A' ' 88' ' ' LEU . 88.8 t -60.14 -25.11 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 74.44 111.12 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.46 -25.65 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.906 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -33.73 70.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 72.15 110.823 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.54 ' HA ' HG21 ' A' ' 19' ' ' VAL . 3.6 m -59.47 -40.42 86.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.872 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.97 -32.08 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 74.21 111.104 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -42.94 99.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 72.44 110.869 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.523 HD12 HG23 ' A' ' 19' ' ' VAL . 59.6 mt -66.32 -43.52 91.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 51.1 111.127 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -22.57 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 75.41 111.168 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.2 -18.4 48.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 62.41 110.876 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -84.66 -19.9 32.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.558 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.48 -25.56 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 71.51 111.135 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.3 tp -78.17 -22.81 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 75.22 111.143 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.906 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.697 ' HB3' HD13 ' A' ' 12' ' ' ILE . 20.2 m170 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.843 0.354 . . . . 75.55 110.874 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.77 -47.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.11 111.097 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.23 -44.57 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.27 -18.95 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 75.22 111.143 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.697 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.41 -28.49 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 71.33 111.128 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -85.81 -26.33 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.861 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -48.44 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.839 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.14 -24.97 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.143 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.2 tp -53.7 -47.16 70.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 71.02 110.895 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -18.85 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.875 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -38.87 49.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 61.51 110.864 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.697 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.07 -28.23 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 63.33 111.141 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.86 -18.94 45.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.905 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -70.75 -57.0 5.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 62.3 110.891 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -46.06 64.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 62.44 110.903 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 20' ' ' PHE . 47.5 mt -51.91 -38.14 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.13 111.151 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -23.91 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 72.43 110.884 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -59.04 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.537 HD11 HG23 ' A' ' 119' ' ' THR . 1.7 pt -85.98 -20.07 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 52.53 111.101 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.32 -34.52 89.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 64.44 112.47 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 t -92.02 -29.09 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 74.24 111.133 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.63 -17.98 64.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 t -80.52 -17.96 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 63.1 110.86 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.75 -20.48 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.117 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.15 -59.26 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.884 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.74 -22.4 35.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 73.05 111.154 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.17 -39.42 27.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 35.23 112.445 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.445 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.15 -23.84 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 72.11 110.849 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -76.28 -39.35 54.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.985 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.504 HG23 ' HG ' ' A' ' 111' ' ' LEU . 1.4 mp -75.47 -40.85 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.23 111.179 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -62.77 -59.09 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.25 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.5 mm? -50.41 -33.03 19.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.928 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -41.07 97.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 71.24 110.882 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -78.7 -41.49 30.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -179.52 -34.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.883 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.96 22.21 40.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 42.21 112.476 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.15 -142.54 5.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 64.24 112.489 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.54 106.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 71.1 112.48 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.14 -134.22 36.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 64.05 112.465 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.24 172.18 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 65.4 112.513 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.03 -164.94 25.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 45.32 112.51 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -9.84 27.07 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.683 2.255 . . . . 74.11 112.353 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.16 -29.39 61.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.47 ' OH ' HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -73.13 -34.43 66.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.923 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.13 -39.96 91.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.52 -26.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 72.13 111.102 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.28 -31.75 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 42.34 111.129 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.25 -24.64 22.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 t -85.99 -45.24 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.45 111.152 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mm -74.77 -22.63 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.05 111.102 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mm-40 -51.96 -60.63 5.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 72.24 110.898 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.701 ' HG3' HD13 ' A' ' 91' ' ' LEU . 54.1 Cg_endo -69.78 -25.17 28.8 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 55.2 112.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -30.87 71.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 50.52 110.882 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -59.42 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 71.21 110.919 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.38 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.403 ' HE1' ' HG ' ' A' ' 84' ' ' SER . 0.2 OUTLIER -83.67 -24.78 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.852 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.5 m -53.05 -38.17 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 73.5 110.853 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.62 -23.13 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 71.31 110.89 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.6 mt -69.0 -33.7 74.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 72.03 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -62.67 -20.11 64.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.43 111.148 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.01 -13.62 39.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 63.44 112.488 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.762 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.3 tp -91.05 -8.62 48.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 50.41 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.07 -31.88 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.03 111.112 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -97.83 1.06 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.889 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -118.77 -60.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 54.44 110.962 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.1 mt -141.64 74.78 22.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 65.12 110.904 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 129.43 17.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 74.01 112.329 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.7 m -58.31 -21.78 50.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.12 111.157 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -176.72 -172.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 61.21 110.899 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.21 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.52 110.837 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.12 30.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 71.13 112.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.82 -44.47 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.947 0.404 . . . . 61.5 110.939 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.762 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -81.0 -32.93 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.902 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.558 ' SD ' HG22 ' A' ' 127' ' ' ILE . 12.8 mtt -70.07 -51.55 31.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.906 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -54.32 -28.68 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 62.44 111.132 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 87' ' ' VAL . 6.1 mm-40 -83.52 -26.17 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 71.35 110.898 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.403 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -85.02 -25.89 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.843 -179.788 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -84.99 -36.7 21.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 62.45 110.91 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -17.95 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.889 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 83' ' ' GLU . 21.9 t -71.01 -27.29 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 71.23 111.137 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.4 mt -86.03 -36.01 19.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -77.96 -35.36 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 64.42 110.916 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -80.66 -19.94 44.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.817 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.701 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.9 tp -72.25 -47.48 49.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 63.5 110.933 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.7 t -53.42 -27.57 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.45 111.086 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -30.97 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -22.93 32.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.889 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.1 tp -82.47 -45.79 14.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.91 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -60.67 -27.28 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 61.35 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -12.45 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.859 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.47 HD13 ' OH ' ' A' ' 51' ' ' TYR . 1.7 tp -51.84 -23.94 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 74.15 111.101 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -57.58 -19.81 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.53 111.149 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -19.87 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.888 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.639 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.63 -55.28 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.907 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.93 80.79 29.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 61.51 111.143 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.21 11.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 63.25 112.382 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.8 t -69.53 -35.44 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 70.14 110.864 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.64 -15.6 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 71.42 111.147 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -53.16 -23.75 9.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.865 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.19 -18.36 35.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.844 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.513 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.94 -14.29 56.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 73.41 111.089 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.538 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.46 -57.49 8.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.65 0.738 . . . . 61.43 111.171 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.81 -14.07 35.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 75.02 112.339 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.36 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 64.31 110.888 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 108' ' ' ALA . 7.8 tt -77.25 -21.99 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.15 111.104 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.06 -26.97 12.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 75.32 112.489 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.26 -31.8 70.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 74.21 110.906 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -85.39 -34.45 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.894 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -65.19 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.912 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.59 -25.01 64.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.893 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -62.02 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.867 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 123' ' ' VAL . 7.3 m -66.71 -38.29 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 71.53 111.17 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -54.02 -29.19 42.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 51.51 110.89 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -85.55 -25.44 26.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 73.31 110.91 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.07 -23.37 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 74.45 110.926 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 119' ' ' THR . 94.9 t -57.65 -23.08 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 75.41 111.138 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.574 ' HG2' HD11 ' A' ' 127' ' ' ILE . 1.6 mt-10 -66.68 -19.98 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 72.43 110.89 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -20.6 65.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 65.01 110.868 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.697 ' HA ' HG21 ' A' ' 19' ' ' VAL . 1.2 p -80.23 -37.71 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 61.03 110.822 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.574 HD11 ' HG2' ' A' ' 124' ' ' GLU . 46.6 pt -84.04 -26.41 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.45 111.102 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -76.55 -20.82 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 70.54 110.932 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.653 HD12 HG23 ' A' ' 19' ' ' VAL . 26.1 mt -85.07 -42.66 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.53 111.122 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.548 ' O ' HG12 ' A' ' 133' ' ' VAL . 39.4 p -79.19 -22.53 44.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 61.32 111.158 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.07 -18.62 48.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 60.55 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -83.16 -20.53 34.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.905 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -74.31 -19.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 73.01 111.142 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -64.57 -23.03 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.12 111.172 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 52.03 110.854 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.712 ' HB3' HD13 ' A' ' 12' ' ' ILE . 34.6 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.815 0.341 . . . . 41.42 110.836 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.4 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 61.44 111.099 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.409 ' HA ' ' HE3' ' A' ' 10' ' ' MET . 8.0 mmm -78.27 -43.77 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 41.24 110.865 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -90.29 -19.19 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 71.11 111.098 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.712 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.3 -28.37 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.23 111.144 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.51 -24.31 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 70.42 110.865 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -43.02 56.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 54.23 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.17 -25.05 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 65.32 111.103 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.89 -53.14 44.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 65.35 110.944 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -61.65 -18.86 61.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.88 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -38.68 48.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.5 110.858 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.613 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.09 -28.2 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 44.43 111.091 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.44 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.92 -18.9 45.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 70.0 110.898 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.32 -56.98 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 55.43 110.87 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -36.38 80.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.891 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 20' ' ' PHE . 25.2 mt -51.73 -33.24 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 71.33 111.092 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.04 -30.24 34.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 33.31 110.86 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -59.06 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 53.44 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.499 HD13 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -57.08 -23.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 71.53 111.123 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.749 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -83.99 -55.97 2.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.691 -0.766 . . . . 74.42 112.504 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -52.03 -34.64 44.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 72.2 111.137 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.71 -34.62 74.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.866 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -82.0 -22.87 36.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 75.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 27' ' ' GLY . 57.6 t -68.22 -20.59 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.179 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.17 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.55 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 65.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.611 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -78.93 -38.55 22.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 74.13 112.516 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -23.86 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 74.14 110.869 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.0 -39.77 49.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.44 110.884 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.582 HG22 ' HB1' ' A' ' 108' ' ' ALA . 1.4 mp -73.55 -40.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 73.1 111.131 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.69 -59.02 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.921 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -50.46 -35.82 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.921 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -38.94 73.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 70.33 110.852 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.557 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 40.7 mm-40 -64.87 -38.66 91.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 63.22 110.927 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.51 -41.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.89 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.13 27.43 22.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 43.44 112.515 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.66 -171.57 13.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 52.14 112.501 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.63 -146.8 18.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 65.54 112.531 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.87 -116.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 72.31 112.51 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.19 159.0 2.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 25.33 112.452 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.94 -165.43 29.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 71.53 112.534 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -9.69 26.71 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.719 2.28 . . . . 54.3 112.286 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.48 -31.01 62.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 65.32 110.929 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.626 ' HE2' HD12 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -76.84 -29.37 55.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.95 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -67.83 -36.38 80.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 73.34 110.876 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.07 -26.32 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 75.1 111.126 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.7 -31.51 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 62.23 111.131 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.17 -24.7 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.905 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.651 ' HA ' HD11 ' A' ' 91' ' ' LEU . 6.9 t -86.1 -45.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 73.22 111.112 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.4 mm -74.64 -22.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 71.1 111.127 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.93 -60.74 5.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.73 . . . . 53.11 110.918 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.716 ' CG ' HD13 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.75 -24.97 29.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.714 2.276 . . . . 74.33 112.37 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.31 70.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.25 110.938 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -56.65 -59.76 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.34 40.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 64.31 110.913 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.71 -24.74 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.852 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -38.98 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 65.35 110.85 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -65.06 -25.62 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 62.25 110.842 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -68.95 -34.21 74.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 51.41 110.92 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -62.64 -20.49 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 61.32 111.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.97 -13.77 38.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 63.42 112.519 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.758 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.1 tp -91.08 -9.2 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 75.43 110.907 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.429 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.12 -31.85 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 74.04 111.099 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -97.31 1.11 49.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -119.0 -60.58 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 71.32 110.921 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.55 74.7 23.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 61.24 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.47 17.65 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.25 . . . . 62.4 112.335 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 100.0 m -57.58 -22.79 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 51.4 111.12 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -176.41 -172.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.6 p -62.46 -17.24 59.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.893 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.81 30.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 64.21 112.466 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.75 -44.35 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 54.52 110.903 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.758 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -81.04 -34.19 32.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 61.05 110.853 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.429 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.4 mtt -68.69 -51.87 37.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 51.21 110.89 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 t -54.06 -28.67 40.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 75.34 111.146 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 87' ' ' VAL . 10.1 tt0 -80.92 -28.1 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 54.02 110.907 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -84.97 -26.11 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.91 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.679 ' HG3' HG11 ' A' ' 123' ' ' VAL . 1.0 OUTLIER -84.98 -33.37 22.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 73.55 110.914 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -18.02 59.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.852 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 83' ' ' GLU . 5.6 t -86.52 -23.0 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 72.54 111.15 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.686 ' CD1' HG21 ' A' ' 123' ' ' VAL . 30.9 mt -69.37 -36.29 76.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.92 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.479 ' O ' HG22 ' A' ' 92' ' ' THR . 0.2 OUTLIER -79.69 -34.15 40.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 42.31 110.914 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -19.96 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.883 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.716 HD13 ' CG ' ' A' ' 59' ' ' PRO . 1.8 tp -70.16 -46.05 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 72.34 110.893 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.0 t -53.53 -27.02 23.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 60.12 111.136 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -26.32 36.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 72.44 110.919 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -28.65 56.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 53.41 110.886 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.541 HD11 ' CE1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -83.11 -36.08 25.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.53 -23.03 48.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 63.42 110.909 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -12.46 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 63.25 110.9 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.626 HD12 ' HE2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -51.49 -24.46 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 44.54 111.102 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.4 p -57.74 -19.42 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.15 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -85.3 -20.1 30.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.05 110.903 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.655 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.8 -55.31 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 61.54 110.935 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.9 mp -137.85 81.68 27.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 75.44 111.178 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -2.83 10.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 62.32 112.323 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.2 t -69.15 -11.74 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 64.42 110.887 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.8 p -80.12 -14.03 58.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 64.34 111.185 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 t -49.36 -26.58 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 60.24 110.818 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -43.43 71.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.859 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.582 ' HB1' HG22 ' A' ' 37' ' ' ILE . . . -85.5 -14.98 44.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.41 111.129 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.64 -56.92 9.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 65.14 111.155 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.77 -14.32 35.9 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.273 . . . . 62.53 112.356 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -43.41 14.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 51.3 110.914 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.611 HD12 ' HA2' ' A' ' 34' ' ' GLY . 12.4 tt -89.11 -21.98 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.42 111.089 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.34 -27.83 12.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 63.12 112.438 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -62.07 -36.62 82.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 64.32 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.45 -33.03 21.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 64.43 110.92 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.7 mtp -51.89 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.914 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -60.25 -26.98 66.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 73.2 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -47.55 68.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.918 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 123' ' ' VAL . 31.9 m -57.91 -55.23 37.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 72.13 111.144 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -51.94 -43.85 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.932 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.62 -41.73 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 65.11 110.864 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.499 ' CE2' HD13 ' A' ' 26' ' ' ILE . 24.4 t80 -58.8 -23.81 60.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.01 110.909 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.686 HG21 ' CD1' ' A' ' 88' ' ' LEU . 97.0 t -57.71 -23.0 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.13 111.17 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.693 ' CG ' HD11 ' A' ' 127' ' ' ILE . 4.4 tt0 -59.26 -21.67 59.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 41.23 110.87 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.5 p -54.88 -30.11 57.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 75.54 110.834 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -56.55 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.837 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.693 HD11 ' CG ' ' A' ' 124' ' ' GLU . 42.8 pt -64.74 -26.7 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 70.1 111.143 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -72.19 -48.68 41.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.876 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.613 HD12 HG23 ' A' ' 19' ' ' VAL . 22.3 mt -63.72 -42.05 94.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.145 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 5.4 p -69.34 -22.56 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 55.41 111.143 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.24 -18.34 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.884 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -84.68 -19.84 32.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.909 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.51 -25.61 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.12 111.138 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.3 tp -78.08 -22.87 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 63.34 111.121 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 63.12 110.885 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.697 ' HB3' HD13 ' A' ' 12' ' ' ILE . 39.4 m-70 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.797 0.332 . . . . 73.41 110.823 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.29 -47.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 51.24 111.068 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.2 mmt -80.3 -44.5 19.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.24 -19.03 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 75.42 111.11 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.697 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.38 -28.52 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.21 111.113 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.22 -20.49 60.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 63.51 110.857 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.1 -48.16 10.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.55 110.828 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.4 mt -56.17 -24.94 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 75.15 111.13 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -52.72 -50.72 62.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 53.12 110.972 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.602 ' N ' HD23 ' A' ' 16' ' ' LEU . 10.5 mttt -61.26 -18.87 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 42.05 110.898 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.72 -39.4 52.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.862 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.95 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.12 -28.13 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.45 111.098 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.72 -18.98 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -70.06 -43.04 72.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.1 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.53 -46.07 63.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.893 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mp -52.48 -38.15 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 72.55 111.192 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.3 m -81.0 -22.11 39.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.892 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -58.99 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.25 110.89 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.8 tt -82.82 -19.96 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.117 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.2 -20.53 79.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 50.32 112.472 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -76.66 -40.41 49.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 54.41 111.148 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.82 -23.95 65.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.893 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -73.27 -21.85 60.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 63.23 110.853 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 t -68.73 -20.47 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 65.25 111.092 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -59.16 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.881 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.6 -22.57 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 61.01 111.129 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.748 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -76.73 -39.61 28.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 32.52 112.501 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.474 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.22 -22.96 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 71.13 110.896 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -77.16 -38.88 50.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 65.05 110.971 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.937 HG23 HD13 ' A' ' 111' ' ' LEU . 1.4 mp -76.61 -41.68 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.127 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.61 -57.69 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.871 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.6 mm? -49.42 -31.02 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 64.43 110.918 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -64.32 -51.62 62.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.15 110.88 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.536 ' NE2' HD12 ' A' ' 111' ' ' LEU . 21.8 mt-30 -74.41 -56.63 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 64.43 110.902 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.45 52.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.859 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.411 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -81.53 -16.78 72.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 62.01 112.51 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -102.84 79.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 53.01 112.487 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.74 -112.5 1.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 45.34 112.528 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.19 -94.37 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 53.53 112.482 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.92 -178.98 14.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 73.43 112.533 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.74 -177.96 18.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.468 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -10.84 29.5 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 74.22 112.319 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.521 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.46 -24.71 39.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.934 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.4 ' HE2' HD13 ' A' ' 98' ' ' ILE . 1.4 t80 -65.83 -37.66 86.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 65.23 110.95 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CD2' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -64.14 -49.04 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.03 110.87 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.487 HG23 ' CD2' ' A' ' 52' ' ' PHE . 57.0 t -72.41 -31.42 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 74.41 111.112 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.92 -34.6 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 71.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.16 -24.31 26.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.2 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.5 t -86.45 -44.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 70.54 111.167 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -74.91 -23.56 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 64.03 111.155 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.4 mm-40 -51.59 -60.7 5.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.672 0.748 . . . . 74.24 110.915 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.4 Cg_endo -69.75 -23.64 30.59 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.616 2.211 . . . . 74.4 112.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -32.76 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 52.43 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -54.4 -60.47 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -56.02 -25.11 43.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.908 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -82.56 -24.72 33.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 65.03 110.826 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.3 m -52.91 -29.11 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 72.14 110.866 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -57.02 -24.14 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 72.13 110.884 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.574 HD22 ' HD3' ' A' ' 80' ' ' LYS . 7.7 mt -74.38 -47.85 31.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.943 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.0 p -66.34 -13.46 60.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 71.41 111.143 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.84 -14.1 32.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 42.12 112.472 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -17.26 26.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 74.54 110.897 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.698 HG21 ' HG2' ' A' ' 81' ' ' MET . 3.1 t -94.64 -31.89 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 71.55 111.145 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.561 ' CB ' HD12 ' A' ' 16' ' ' LEU . 21.9 m-85 -91.33 1.06 57.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.862 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -105.8 -66.02 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.951 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.1 tp -150.72 71.99 8.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 73.05 110.948 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 129.25 17.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 72.51 112.336 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -112.43 43.68 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 63.02 111.142 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.81 166.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.4 110.899 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 m -65.9 -14.36 61.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.855 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.21 43.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.752 . . . . 71.43 112.47 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.93 -60.7 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 74.34 110.897 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.574 ' HD3' HD22 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -81.16 -20.03 42.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.888 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.698 ' HG2' HG21 ' A' ' 70' ' ' VAL . 12.6 mtt -68.57 -54.41 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.891 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t -54.02 -31.56 51.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.11 111.156 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 87' ' ' VAL . 2.3 mt-10 -88.03 -20.02 26.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.931 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.486 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -84.21 -21.02 31.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.883 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -77.93 -53.29 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 60.41 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.9 m -62.1 -17.96 59.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 61.42 110.871 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 63' ' ' PHE . 3.4 t -76.13 -31.6 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 70.4 111.108 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.96 -33.68 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 52.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -27.85 28.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 65.1 110.887 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 t -87.17 -19.8 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.861 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -42.1 62.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 52.05 110.893 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -58.3 -22.07 51.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 71.33 111.116 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.51 -38.99 56.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.899 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -33.26 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 65.1 110.883 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 tp -83.41 -47.2 11.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.909 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.64 -24.99 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.921 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -12.6 61.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.918 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.4 HD13 ' HE2' ' A' ' 51' ' ' TYR . 3.5 tp -51.77 -23.78 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 70.13 111.108 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.22 -20.17 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 64.22 111.106 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -19.48 33.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.852 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.628 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.54 -55.05 2.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 64.04 110.94 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.628 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.78 79.84 32.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 64.24 111.155 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -2.89 10.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 65.02 112.365 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 p -69.51 -35.63 75.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 71.32 110.862 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.4 p -90.93 -15.55 29.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 42.11 111.126 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 t -53.32 -23.79 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 53.12 110.836 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -59.16 -18.58 37.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 73.33 110.852 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.2 -14.03 56.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 61.41 111.107 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.549 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.42 8.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.73 . . . . 54.13 111.125 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.76 -14.24 35.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 71.01 112.328 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.937 HD13 HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -84.45 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 64.24 110.901 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.748 HD12 ' HA2' ' A' ' 34' ' ' GLY . 12.8 tt -76.9 -21.95 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 72.15 111.104 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.13 -26.59 12.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 63.21 112.439 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -59.57 -29.84 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.771 0.32 . . . . 71.31 110.868 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -85.29 -35.31 21.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 75.22 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.841 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.13 -25.53 63.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 73.21 110.918 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -61.64 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.882 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.7 m -67.52 -37.14 82.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 70.44 111.17 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -57.06 -25.8 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.04 110.933 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -81.91 -20.92 37.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 62.22 110.887 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -84.11 -21.06 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.0 -27.38 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 74.03 111.103 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.427 ' HG2' HD11 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -60.62 -19.98 59.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.869 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 t -60.72 -24.61 65.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.845 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.492 ' HA ' HG21 ' A' ' 19' ' ' VAL . 15.4 m -72.59 -56.51 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 62.42 110.834 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.427 HD11 ' HG2' ' A' ' 124' ' ' GLU . 21.0 pt -60.78 -24.02 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 64.43 111.149 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -50.33 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.875 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.95 HD12 HG23 ' A' ' 19' ' ' VAL . 33.8 mt -65.97 -43.0 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 71.32 111.164 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.3 p -71.33 -22.52 61.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 62.51 111.145 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -18.35 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.875 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -19.85 31.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 52.21 110.9 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.66 -25.73 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 72.2 111.153 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.58 -22.85 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 72.22 111.167 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.3 t30 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 54.52 110.899 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.766 0.317 . . . . 73.31 110.902 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.518 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.66 -47.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 52.34 111.119 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.9 mmt -80.16 -44.58 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 61.53 110.891 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.25 -18.97 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.32 111.191 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.518 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.39 -28.52 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 64.42 111.159 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -76.62 -21.12 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 63.54 110.848 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -78.18 -22.11 49.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.794 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.514 HG22 ' CD1' ' A' ' 129' ' ' ILE . 6.0 mm -77.56 -24.95 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 70.31 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -42.43 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.906 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -53.0 -33.27 50.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.933 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t -66.47 -32.29 73.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 54.51 110.91 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -88.13 -32.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 73.34 111.13 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.67 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.63 -18.92 46.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 65.43 110.86 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.58 -45.24 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 51.5 110.903 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -44.83 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 54.4 110.882 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 20' ' ' PHE . 39.3 mt -51.76 -43.0 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.22 111.121 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 m -81.1 -20.98 40.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 62.44 110.831 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -68.67 -59.06 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.878 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -86.07 -20.0 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 74.21 111.114 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.741 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -76.11 -52.37 6.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 42.34 112.487 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.5 m -51.95 -48.9 64.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 71.05 111.17 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.88 -23.2 65.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.872 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -82.0 -28.35 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.892 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 27' ' ' GLY . 40.5 t -68.29 -20.47 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 70.54 111.134 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -86.65 -56.62 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -23.12 34.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.116 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' CA ' HD12 ' A' ' 112' ' ' ILE . . . -73.82 -40.81 43.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 50.1 112.494 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.489 ' O ' HD23 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.73 -22.38 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 71.31 110.891 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.17 -36.09 47.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.436 HG21 ' HB3' ' A' ' 111' ' ' LEU . 1.0 OUTLIER -72.86 -39.57 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 54.24 111.152 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.67 -45.74 61.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.888 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -51.5 -37.2 47.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 64.22 110.895 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -45.38 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.87 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.98 -43.71 63.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.937 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -179.45 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.885 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.22 23.64 33.87 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 62.12 112.449 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.78 -157.93 13.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.689 -0.767 . . . . 50.44 112.469 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.16 169.82 18.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 74.12 112.481 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.16 -88.83 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.748 . . . . 71.23 112.479 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.83 159.4 3.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 61.14 112.479 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.83 -179.68 38.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 70.11 112.505 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.76 29.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.667 2.245 . . . . 71.2 112.34 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.508 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.39 -29.86 37.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 62.32 110.922 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -39.31 86.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 73.2 110.924 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -31.13 72.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.4 110.837 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.7 t -88.16 -28.39 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 72.41 111.115 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 50' ' ' LEU . 38.6 t -80.93 -28.21 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.34 111.124 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.78 -24.72 22.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 62.41 110.84 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.9 p -89.0 -28.09 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.168 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.1 mm -91.19 -25.93 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.12 111.135 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mt-10 -51.25 -60.22 6.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 74.43 110.879 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.761 ' HG2' HD22 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.8 -33.79 15.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.7 2.267 . . . . 71.2 112.316 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -63.68 -29.89 71.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 74.03 110.845 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -59.24 5.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 72.5 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -25.77 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 73.04 110.894 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -24.83 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.909 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -38.61 65.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 62.22 110.878 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -78.04 -23.82 48.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 62.04 110.855 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.79 -33.34 74.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 74.32 110.918 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.43 HG21 ' CE2' ' A' ' 20' ' ' PHE . 8.1 m -62.66 -19.95 64.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 71.04 111.075 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.05 -13.62 38.99 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 35.21 112.449 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.746 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.4 tp -91.1 -7.94 50.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 63.24 110.91 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -94.92 -31.77 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 52.54 111.165 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -98.59 1.11 46.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.866 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -118.51 -59.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 54.33 110.894 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 tp -141.73 75.01 22.22 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.651 0.738 . . . . 65.42 110.906 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.34 17.41 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 42.24 112.344 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.0 m -60.55 -19.01 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 33.11 111.147 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.78 -171.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.806 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.2 p -64.58 -15.67 61.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 72.23 110.834 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.1 31.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 74.43 112.489 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -85.5 -45.71 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 71.23 110.865 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.746 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -78.64 -32.48 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.868 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.417 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.7 mtt -71.15 -53.68 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 73.24 110.842 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 t -53.82 -28.02 33.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 44.15 111.193 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.3 tt0 -83.08 -28.34 29.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.904 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.01 -20.98 29.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 45.31 110.881 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -84.68 -38.73 19.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.881 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -18.02 59.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.865 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 83' ' ' GLU . 6.2 t -71.62 -31.1 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.173 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.97 -34.46 20.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 73.53 110.911 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 92' ' ' THR . 33.8 mtpt -76.34 -36.52 58.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.867 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.0 t -81.01 -19.88 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 54.2 110.846 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.761 HD22 ' HG2' ' A' ' 59' ' ' PRO . 2.0 tp -74.8 -48.13 27.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.879 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.4 t -53.71 -27.45 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 72.02 111.134 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.34 -33.14 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 71.34 110.895 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -83.57 -22.95 32.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.908 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.9 tp -81.58 -38.04 26.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 62.35 110.914 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -70.69 -26.09 63.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.875 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -10.32 59.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.869 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.7 tp -50.19 -25.05 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.13 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.22 -19.9 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 72.31 111.137 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -83.92 -20.24 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.905 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.633 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.74 -54.95 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.916 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.82 80.99 29.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 71.22 111.158 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -3.42 11.93 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.661 2.241 . . . . 65.55 112.388 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -35.8 75.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.53 110.839 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.9 p -91.1 -15.62 29.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 71.31 111.149 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.4 t -56.93 -20.59 24.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.832 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -59.11 -18.45 35.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 74.22 110.852 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.06 -14.13 56.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 63.34 111.095 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.546 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.46 8.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 74.11 111.153 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.2 Cg_endo -69.8 -14.17 35.58 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 62.32 112.319 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.436 ' HB3' HG21 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -84.44 -61.3 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.893 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 108' ' ' ALA . 5.8 tt -76.79 -21.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 52.11 111.151 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -49.88 -28.74 12.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 62.12 112.504 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -64.34 -39.18 93.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 75.15 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -85.13 -22.5 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.14 110.908 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -65.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 73.41 110.832 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.75 -26.4 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 55.21 110.928 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -60.13 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.856 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 123' ' ' VAL . 53.0 m -70.28 -38.66 75.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 72.32 111.12 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -27.1 36.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.935 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.48 -27.79 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.892 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.57 -21.68 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 64.25 110.839 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 119' ' ' THR . 53.2 t -55.99 -28.15 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 50.1 111.157 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.609 ' O ' HD12 ' A' ' 127' ' ' ILE . 3.5 mt-10 -66.26 -20.87 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.936 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.9 m -56.01 -25.76 45.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 55.03 110.796 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -33.75 67.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 70.23 110.837 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 124' ' ' GLU . 2.3 mp -83.43 -24.01 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 54.14 111.153 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -52.17 -39.84 60.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.93 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.514 ' CD1' HG22 ' A' ' 15' ' ' ILE . 21.2 mt -66.7 -58.06 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.076 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -22.52 49.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 72.2 111.14 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.625 ' O ' HG22 ' A' ' 134' ' ' ILE . 0.2 OUTLIER -59.92 -18.71 47.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.864 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -84.84 -33.43 22.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.873 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.09 -21.37 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.34 111.131 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 131' ' ' GLU . 1.1 tt -52.94 -28.04 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.091 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.889 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.764 0.316 . . . . 73.41 110.805 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.513 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.52 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 55.45 111.147 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 mmt -80.24 -44.6 19.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 61.13 110.869 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.6 m -90.2 -19.01 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 73.31 111.163 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.513 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.43 -28.49 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 61.2 111.137 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -84.9 -20.34 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.12 -48.81 19.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.806 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.2 mm -56.14 -24.95 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 61.32 111.132 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 71' ' ' PHE . 7.6 tt -54.07 -45.22 71.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.925 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -63.01 -19.07 64.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.866 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.79 -34.14 30.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 53.34 110.904 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.06 HG21 HD11 ' A' ' 129' ' ' ILE . 3.4 t -88.1 -31.43 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.02 111.1 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.517 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.48 -18.89 47.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.4 110.912 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.68 -45.69 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 52.01 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -36.52 69.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 63.4 110.902 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 20' ' ' PHE . 28.9 mt -51.96 -40.04 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.11 111.15 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.09 -20.99 40.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 72.01 110.858 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -65.69 -59.02 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.932 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 pt -81.57 -20.03 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.132 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.68 75.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.479 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 p -92.0 -21.01 20.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.728 0.299 . . . . 73.02 111.097 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.99 -29.75 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 60.13 110.889 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.0 p -82.04 -17.96 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.52 110.835 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.26 -20.47 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 54.25 111.15 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -87.27 -56.42 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 73.35 110.815 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.85 -26.33 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 64.42 111.145 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.98 -39.19 93.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 55.22 112.492 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.86 -24.4 22.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 75.11 110.854 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mp -77.07 -35.26 56.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 61.43 110.943 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.473 HG12 HD12 ' A' ' 111' ' ' LEU . 1.1 mp -75.8 -50.44 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.11 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.82 -57.67 11.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 61.15 110.86 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.451 HD12 ' HA2' ' A' ' 43' ' ' GLY . 4.2 mp -51.34 -36.13 41.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 65.21 110.95 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t -65.13 -41.22 95.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 72.51 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -74.48 -40.68 61.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.901 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.86 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.878 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' A' ' 39' ' ' LEU . . . 96.7 -24.74 29.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 74.52 112.508 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.25 -174.64 35.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 53.03 112.479 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.81 -53.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 32.32 112.49 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.1 -117.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.676 -0.773 . . . . 43.14 112.503 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.14 147.31 13.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 61.33 112.497 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.03 -165.43 27.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.684 -0.77 . . . . 63.44 112.524 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 73.52 112.383 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -73.76 -35.88 65.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.645 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -62.78 -38.14 89.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.969 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -65.61 -49.51 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 74.35 110.864 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.48 -34.14 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.52 111.139 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.6 -36.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.15 111.106 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 55' ' ' ASN . 1.5 m-80 -82.99 -23.94 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.911 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.2 t -87.54 -44.23 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 64.13 111.11 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.1 mm -74.06 -24.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 73.35 111.119 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.7 mt-10 -52.14 -60.38 6.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 62.53 110.915 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.826 ' HG3' HD13 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.74 -20.89 34.35 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 74.21 112.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.9 m -66.16 -34.44 78.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 60.45 110.904 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -62.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 54.45 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -56.26 -24.87 45.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.881 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -24.39 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.5 110.885 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 67' ' ' THR . 68.3 m -55.55 -34.26 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.842 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.81 -20.89 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.924 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.6 mt -73.71 -48.55 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 72.3 110.938 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 64' ' ' SER . 9.8 t -64.4 -14.88 59.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.154 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.44 -13.14 36.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 73.5 112.486 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -12.46 35.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 72.42 110.944 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.763 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.5 t -91.21 -44.34 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 54.13 111.127 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.552 ' CZ ' HD13 ' A' ' 129' ' ' ILE . 35.9 m-85 -83.05 1.14 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 61.43 110.887 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -120.18 -67.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 72.31 110.931 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -120.2 76.41 23.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 73.34 110.933 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 129.0 16.92 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.733 2.289 . . . . 74.05 112.337 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.5 p -102.94 -13.21 17.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 63.15 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -176.42 179.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 54.2 110.897 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.8 m -60.14 -20.58 59.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.846 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.56 41.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 72.45 112.489 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 82' ' ' THR . 5.4 mm-40 -67.05 -51.54 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 71.43 110.84 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.21 -30.91 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 70.32 110.947 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.763 ' HG2' HG21 ' A' ' 70' ' ' VAL . 8.8 mtt -63.5 -40.11 96.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 73.41 110.893 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.4 t -56.55 -23.81 42.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 71.5 111.116 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.9 tt0 -80.13 -24.15 40.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 71.33 110.875 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 t -81.84 -27.9 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 72.32 110.861 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -63.53 -28.97 70.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 62.02 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.03 -17.97 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 23.11 110.853 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 83' ' ' GLU . 85.5 t -73.8 -29.03 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.33 111.115 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.2 mt -86.08 -35.27 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 61.22 110.936 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 92' ' ' THR . 2.5 ttmm -76.7 -36.31 57.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 63.35 110.931 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.2 p -80.56 -19.87 44.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 63.52 110.835 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.826 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.8 tp -73.88 -48.3 31.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 71.12 110.928 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.5 t -53.8 -27.09 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 62.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -26.84 38.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.895 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -27.25 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 55.14 110.873 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -83.18 -49.23 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 51.12 110.944 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -57.72 -26.45 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.11 110.92 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -12.88 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.897 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.645 HD13 ' CE2' ' A' ' 51' ' ' TYR . 1.8 tp -52.05 -24.34 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 70.42 111.16 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -57.77 -19.55 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.15 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -85.19 -19.98 30.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 55.14 110.863 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.648 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.64 -55.35 2.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 74.12 110.967 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.95 81.26 28.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 74.51 111.141 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -3.4 11.9 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.717 2.278 . . . . 74.43 112.389 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -35.42 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 51.4 110.859 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 81.5 p -90.68 -15.47 30.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 70.55 111.158 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.7 t -52.98 -23.79 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 63.44 110.876 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -59.11 -18.44 35.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 54.12 110.84 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.92 -14.22 56.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 52.23 111.113 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.51 -57.5 8.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.667 0.746 . . . . 74.25 111.124 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.8 -14.0 35.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 65.41 112.317 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.473 HD12 HG12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.44 -61.29 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.896 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 108' ' ' ALA . 3.9 tt -77.29 -22.03 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.35 111.088 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.71 -27.56 13.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 64.35 112.48 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -61.52 -35.0 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 74.23 110.913 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -85.46 -30.57 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -65.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 75.53 110.888 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -26.88 63.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.93 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -61.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.886 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 123' ' ' VAL . 30.6 m -63.04 -37.9 89.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.1 111.152 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -55.36 -34.45 64.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.873 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.01 -17.0 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 63.14 110.867 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -85.45 -23.87 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.901 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 119' ' ' THR . 59.4 t -58.73 -23.01 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 70.11 111.104 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.42 -19.94 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.93 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.4 m -56.13 -26.83 51.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.4 110.81 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.8 t -52.99 -41.53 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.839 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.31 -23.98 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 74.42 111.13 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -31.25 63.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 73.03 110.901 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 1.06 HD11 HG21 ' A' ' 19' ' ' VAL . 2.3 mp -75.93 -54.39 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.24 111.147 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -22.57 49.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 73.23 111.119 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.628 ' O ' HG22 ' A' ' 134' ' ' ILE . 2.8 tt0 -59.87 -18.73 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.897 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.79 -33.48 22.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 64.41 110.867 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -21.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 54.11 111.126 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 131' ' ' GLU . 1.1 tt -52.9 -28.03 13.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 75.22 111.129 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.907 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.401 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.765 0.317 . . . . 62.42 110.843 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.23 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.45 111.09 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.8 mmt -80.15 -44.52 19.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 75.21 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.25 -18.98 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 62.44 111.139 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.511 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.39 -28.51 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.21 111.114 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.54 -25.37 38.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 73.13 110.873 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -48.77 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 71.11 110.85 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.08 -24.97 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.43 111.163 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.6 HD13 ' CD1' ' A' ' 71' ' ' PHE . 10.3 tp -51.98 -45.19 64.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 74.15 110.881 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -28.43 69.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 61.13 110.881 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -36.36 77.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 72.53 110.864 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.588 ' CG2' HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -87.99 -28.17 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.51 111.147 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.676 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -81.14 -18.91 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 61.43 110.873 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -79.54 -42.11 25.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.1 110.852 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -46.55 81.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.886 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 20' ' ' PHE . 10.3 mt -51.53 -40.91 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.33 111.178 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.4 m -81.03 -21.02 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 71.44 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -69.0 -59.09 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.05 110.862 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.504 ' CG2' HG23 ' A' ' 119' ' ' THR . 1.2 tt -85.99 -19.92 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.41 111.157 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.75 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -65.62 -55.97 17.5 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.728 -0.749 . . . . 60.15 112.524 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.0 p -61.72 -20.91 64.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.747 0.308 . . . . 72.34 111.159 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -72.29 -38.58 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.885 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 m -82.01 -22.82 36.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.14 110.856 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 27' ' ' GLY . 60.0 t -68.07 -20.61 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 75.23 111.14 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -86.11 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.43 -23.09 47.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 70.22 111.107 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.35 -39.92 41.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 71.32 112.459 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.661 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.65 -26.7 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 73.25 110.879 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -71.87 -37.95 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.906 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.91 -37.61 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.126 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -46.21 87.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.896 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 35' ' ' ARG . 2.7 mm? -51.65 -29.59 18.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 70.2 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m -80.02 -56.52 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 61.2 110.892 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.454 HE22 HD23 ' A' ' 111' ' ' LEU . 5.8 mt-30 -51.29 -55.5 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 72.54 110.924 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.87 50.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.32 110.86 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.509 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -112.64 12.27 25.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 52.21 112.476 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.35 41.5 2.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 53.51 112.479 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.0 175.7 42.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 62.33 112.432 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.13 -151.17 7.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 52.1 112.512 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.18 154.56 5.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 21.14 112.501 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.39 -179.55 39.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 70.3 112.509 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.719 2.28 . . . . 73.15 112.344 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.22 -33.69 37.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.901 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.88 -36.31 82.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.878 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' HD2' HG23 ' A' ' 53' ' ' VAL . 1.7 t80 -64.37 -50.64 66.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 72.45 110.866 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.495 HG23 ' HD2' ' A' ' 52' ' ' PHE . 63.7 t -70.4 -32.2 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.11 111.12 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -73.56 -34.98 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 71.51 111.111 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.09 -24.23 26.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 51.02 110.889 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 t -86.29 -45.02 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.05 111.156 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mm -74.53 -23.36 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 63.31 111.12 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.6 -60.88 5.01 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.658 0.742 . . . . 74.34 110.908 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.75 -24.07 30.11 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 43.54 112.342 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -33.43 75.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 53.51 110.912 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -51.7 -55.9 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.876 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -25.5 51.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.874 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.09 -24.63 27.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 63.4 110.899 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -35.67 56.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.899 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.6 -26.08 41.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 65.01 110.887 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 84' ' ' SER . 6.3 mt -71.91 -37.99 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.22 110.923 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.422 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 6.8 m -62.48 -21.01 65.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 74.34 111.126 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.6 -13.66 40.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 31.2 112.475 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.723 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.4 tp -91.01 -8.11 50.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.341 . . . . 64.42 110.935 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.09 -31.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 63.01 111.122 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' HD13 ' A' ' 16' ' ' LEU . 67.4 m-85 -98.29 1.11 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -118.55 -59.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.925 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -142.74 75.11 18.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 74.22 110.911 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 129.52 17.72 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 62.42 112.36 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.6 m -58.31 -21.89 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.04 111.133 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.42 -172.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.867 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.7 p -62.54 -17.13 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.89 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.94 30.44 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 55.53 112.453 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.09 -44.24 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 71.51 110.889 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.723 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -81.07 -33.57 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 62.23 110.902 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.407 ' HG2' HG21 ' A' ' 70' ' ' VAL . 19.8 mtt -69.42 -53.92 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 63.43 110.876 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 t -53.85 -27.54 30.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 62.43 111.158 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.0 tt0 -82.97 -28.96 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 74.3 110.886 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.595 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -84.96 -21.0 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 61.13 110.885 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.73 -42.65 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 72.04 110.906 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 m -61.93 -18.27 59.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 45.11 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 83' ' ' GLU . 92.1 t -87.01 -22.98 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 71.43 111.129 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.11 -33.95 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.919 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -27.6 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.3 110.918 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.7 m -87.22 -19.77 27.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.84 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.36 -42.35 62.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.901 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -58.41 -22.03 52.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 71.35 111.145 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -51.01 -41.2 59.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.89 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -55.56 -33.72 64.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.874 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.1 tm? -83.39 -48.8 9.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.916 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -57.46 -24.87 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 70.45 110.913 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -13.04 61.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.889 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.9 tp -51.97 -24.23 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 73.44 111.148 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.7 p -57.66 -19.83 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 34.54 111.162 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -84.83 -19.49 32.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.887 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.6 -55.16 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 65.45 110.919 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.624 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.7 mp -137.85 79.99 31.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 72.34 111.097 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -3.4 11.97 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.66 2.24 . . . . 62.31 112.348 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -36.07 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 75.35 110.884 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.26 -15.74 28.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 70.52 111.148 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 m -61.48 -16.62 48.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 65.53 110.878 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.07 -18.72 37.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.04 110.854 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.34 -13.8 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 43.45 111.132 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.55 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.31 -57.41 8.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 74.12 111.131 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.0 Cg_endo -69.76 -14.23 35.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 52.3 112.373 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.454 HD23 HE22 ' A' ' 41' ' ' GLN . 0.1 OUTLIER -84.47 -61.42 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.902 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.23 -21.82 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 75.31 111.138 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.67 -27.13 11.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 52.24 112.475 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.35 -33.67 72.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.03 110.906 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -85.43 -32.26 22.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.956 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -65.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 65.52 110.864 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.36 -29.98 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.9 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -58.37 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 52.01 110.952 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.504 HG23 ' CG2' ' A' ' 26' ' ' ILE . 2.6 m -70.25 -37.05 74.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 62.12 111.174 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -26.55 48.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.875 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.94 -22.27 27.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.91 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -85.99 -36.75 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 63.13 110.859 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.55 -23.05 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.163 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -19.98 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.862 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -25.34 48.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 70.12 110.803 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.2 t -52.06 -36.68 51.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.871 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.93 -25.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 63.4 111.183 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -66.44 -54.42 24.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.899 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.588 HD12 ' CG2' ' A' ' 19' ' ' VAL . 31.2 mt -55.42 -43.16 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.3 111.133 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -22.51 65.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 60.42 111.193 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.19 -18.39 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.871 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -19.72 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.864 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.41 HG21 HD13 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.75 -26.72 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.13 111.143 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -30.9 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.088 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.899 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.64 ' HB3' HD13 ' A' ' 12' ' ' ILE . 50.1 m80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.775 0.321 . . . . 73.31 110.861 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.4 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.4 mmt -80.09 -44.58 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 54.23 110.906 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.17 -19.02 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 73.3 111.174 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.684 HD11 HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -83.39 -28.56 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 64.52 111.139 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -83.92 -17.96 38.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.871 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -83.16 -42.96 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -56.19 -24.91 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 71.32 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.744 HD12 ' HB2' ' A' ' 71' ' ' PHE . 9.2 tt -54.42 -43.95 71.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 61.42 110.907 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -63.58 -18.87 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.43 110.927 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.8 -39.77 50.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 61.34 110.891 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.565 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.12 -27.77 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 55.51 111.154 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.81 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -80.84 -18.95 45.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 53.11 110.881 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -70.11 -47.76 60.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 63.2 110.878 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -38.09 88.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.879 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 20' ' ' PHE . 70.4 mt -51.7 -37.71 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.32 111.129 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.425 ' O ' HG23 ' A' ' 28' ' ' THR . 5.0 m -80.99 -24.98 37.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.933 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -59.0 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 64.42 110.909 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 tt -85.78 -20.0 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.34 111.132 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.679 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -70.82 -43.62 58.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 60.23 112.447 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 24' ' ' CYS . 72.5 p -73.98 -37.3 64.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 64.4 111.139 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.87 -27.33 66.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 m -78.3 -29.66 47.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.887 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 27' ' ' GLY . 59.3 t -60.06 -20.51 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 72.22 111.141 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.31 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.1 110.84 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.59 -22.9 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 71.35 111.111 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.521 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -76.52 -39.06 31.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 63.11 112.475 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.66 -22.83 23.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 74.41 110.896 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.71 -38.5 47.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 61.32 110.894 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.522 HG23 ' HG ' ' A' ' 111' ' ' LEU . 1.3 mp -75.25 -41.04 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.31 111.126 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.25 -59.28 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 65.41 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD22 ' HA3' ' A' ' 43' ' ' GLY . 3.7 mm? -49.44 -31.02 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.898 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -61.89 -50.56 71.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.858 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -79.09 -58.04 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.958 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.48 53.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.856 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.474 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -55.76 -23.62 37.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 64.55 112.474 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.19 13.34 66.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 72.41 112.468 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.52 128.8 41.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 71.23 112.46 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.26 -114.04 3.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 70.32 112.467 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.72 175.19 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 70.12 112.469 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.44 -179.21 39.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.482 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.78 29.43 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 73.03 112.354 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.7 -24.99 38.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.935 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -68.12 -39.37 82.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.921 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -59.9 -38.83 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.844 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.93 -26.45 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 61.14 111.138 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -75.79 -31.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.115 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -24.68 22.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 t -85.96 -45.1 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.42 111.14 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mm -75.01 -22.56 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.02 111.089 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.2 mm-40 -51.82 -60.63 5.63 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 75.24 110.883 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.676 ' CG ' HD22 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.73 -25.81 28.37 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.25 . . . . 75.34 112.325 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.39 77.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.04 -60.3 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.907 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -25.46 42.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 45.24 110.873 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -24.88 33.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.864 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.2 m -55.16 -37.89 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 71.22 110.853 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.73 -22.07 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.927 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.593 HD22 ' HD3' ' A' ' 80' ' ' LYS . 79.0 mt -70.19 -47.85 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 73.03 110.918 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 t -65.28 -14.36 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.145 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.47 -13.7 32.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 65.23 112.527 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.01 -20.03 22.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 75.51 110.917 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.749 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.9 t -87.22 -31.9 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.11 111.148 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.744 ' HB2' HD12 ' A' ' 16' ' ' LEU . 48.6 m-85 -93.71 1.03 56.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.859 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -104.7 -61.22 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 44.24 110.876 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.3 mt -154.81 71.43 5.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.708 . . . . 73.53 110.918 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.08 16.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 44.23 112.322 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.73 43.36 2.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 45.11 111.134 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.77 166.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 64.21 110.91 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -65.75 -14.49 61.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.08 43.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 53.24 112.491 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.29 -60.2 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 73.11 110.869 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.593 ' HD3' HD22 ' A' ' 66' ' ' LEU . 1.7 mmtp -81.07 -19.95 42.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.943 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.749 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.0 mtt -69.01 -55.43 10.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 52.12 110.899 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.4 t -51.65 -31.69 26.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 72.5 111.118 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 87' ' ' VAL . 13.1 tt0 -84.8 -29.39 25.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.877 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -28.51 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.879 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -41.79 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 71.04 110.918 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -62.16 -17.94 59.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 43.21 110.881 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 83' ' ' GLU . 39.0 t -69.12 -31.83 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 71.01 111.117 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.0 mt -86.03 -34.65 20.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 70.3 110.916 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 92' ' ' THR . 5.4 ttmt -75.94 -36.71 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 73.33 110.869 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.4 t -80.69 -20.03 43.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 64.44 110.867 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.676 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.1 tp -75.32 -48.69 21.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 65.32 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.2 t -53.44 -27.73 26.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 62.34 111.177 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.19 -32.27 62.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.93 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.62 -22.87 32.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 61.22 110.904 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.9 tp -82.62 -38.09 24.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.925 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.431 ' O ' HG22 ' A' ' 99' ' ' VAL . 14.4 mttm -68.36 -32.91 73.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 74.55 110.918 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -11.98 61.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.856 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -23.54 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 72.42 111.1 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.446 HG12 ' HB2' ' A' ' 106' ' ' SER . 5.9 m -57.58 -19.69 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 63.14 111.109 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.13 -19.93 31.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.913 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.629 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.6 -55.39 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 73.13 110.933 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.629 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.99 80.98 28.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 73.54 111.162 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -3.38 11.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 55.44 112.377 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.8 p -69.61 -35.49 75.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 62.21 110.831 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.7 -15.52 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 64.41 111.155 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.446 ' HB2' HG12 ' A' ' 99' ' ' VAL . 2.9 t -52.89 -24.02 8.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 72.12 110.887 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.17 -18.42 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.87 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.96 -14.23 56.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 71.1 111.127 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.54 -57.49 8.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 62.3 111.113 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.9 Cg_endo -69.81 -14.01 35.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.264 . . . . 63.23 112.291 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HG ' HG23 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.41 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.932 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.521 HD12 ' HA2' ' A' ' 34' ' ' GLY . 8.7 tt -77.36 -22.02 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.02 111.1 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.82 -27.46 13.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 64.24 112.51 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -61.46 -34.44 75.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 61.43 110.858 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -85.43 -31.3 22.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 73.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 42.53 110.855 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.89 -24.97 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 54.15 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -52.43 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.902 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.5 m -69.35 -39.16 78.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 64.1 111.106 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -38.67 60.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.852 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.05 -16.98 36.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.49 -43.11 21.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 73.33 110.885 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.8 p -57.68 -22.98 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 63.45 111.171 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.53 -19.95 58.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 61.54 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -20.75 59.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 73.31 110.859 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -56.52 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 64.54 110.878 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.59 HG22 ' SD ' ' A' ' 81' ' ' MET . 26.2 pt -63.26 -24.0 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 62.43 111.13 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -48.51 48.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 71.21 110.944 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.565 HD12 HG23 ' A' ' 19' ' ' VAL . 85.2 mt -67.78 -48.21 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 65.12 111.17 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.728 HG21 ' CG1' ' A' ' 70' ' ' VAL . 47.3 p -65.04 -22.51 66.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 75.04 111.145 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -18.36 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -84.75 -19.87 31.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 63.51 110.887 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.684 HG21 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.69 -25.6 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.24 111.096 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.84 -22.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.14 111.133 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.852 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 74.05 110.83 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -173.05 -47.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.14 111.097 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -44.55 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 64.52 110.861 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.35 -18.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 71.32 111.133 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.507 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.41 -28.54 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.1 111.129 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.3 -20.5 29.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.882 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -84.02 -48.45 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 73.23 110.863 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.13 -24.95 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 71.12 111.142 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 71' ' ' PHE . 2.1 tt -55.66 -36.91 67.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 54.34 110.925 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -18.96 65.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.902 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -39.69 49.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 54.42 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.744 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -88.02 -27.84 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.117 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.685 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.6 t80 -80.87 -18.94 45.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.941 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.33 -45.73 65.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 63.44 110.864 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 20' ' ' PHE . 68.1 mt -51.84 -40.33 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 52.13 111.145 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.4 m -81.03 -20.96 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.898 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -67.56 -59.06 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 63.23 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.565 HD11 HG23 ' A' ' 119' ' ' THR . 14.6 pt -86.02 -19.96 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 73.34 111.125 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.34 -18.16 73.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 61.04 112.483 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 p -91.99 -37.55 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 71.45 111.171 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -68.68 -18.03 64.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.859 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.13 -20.99 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.844 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.32 -20.95 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.01 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.68 -53.71 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.898 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.491 ' HB1' ' HE2' ' A' ' 115' ' ' TYR . . . -54.47 -24.77 21.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.54 111.083 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.46 -40.37 79.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 71.23 112.504 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.485 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -89.27 -21.52 23.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 55.34 110.943 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -78.96 -36.11 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 61.03 110.934 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.962 HG23 HD13 ' A' ' 111' ' ' LEU . 1.1 mp -75.57 -51.0 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.151 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -53.86 -58.53 6.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.872 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.42 -34.02 33.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 72.15 110.918 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -62.58 -42.83 99.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.01 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.705 ' NE2' HD12 ' A' ' 111' ' ' LEU . 8.3 mt-30 -77.76 -43.22 31.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.891 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.7 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 64.43 110.873 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.55 21.96 44.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 70.01 112.494 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.93 -172.82 21.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 74.14 112.484 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.18 -179.09 19.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.816 -0.707 . . . . 62.55 112.509 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.68 -101.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 71.31 112.503 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.17 152.7 6.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 32.41 112.508 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.95 -165.15 27.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 41.13 112.469 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -9.9 27.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.699 2.266 . . . . 73.5 112.362 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 54' ' ' VAL . 5.1 mt -73.86 -34.06 64.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 63.43 110.934 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.658 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -66.83 -37.87 85.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.94 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -33.17 75.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 65.33 110.881 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 56' ' ' VAL . 42.6 t -86.24 -29.02 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 60.42 111.117 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 50' ' ' LEU . 42.2 t -80.88 -27.64 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 55.34 111.112 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.426 HD22 ' N ' ' A' ' 55' ' ' ASN . 1.5 m-80 -89.19 -24.11 22.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 64.34 110.898 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.591 HG23 HD21 ' A' ' 91' ' ' LEU . 5.1 p -90.05 -27.86 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.14 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.404 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 11.9 mm -90.79 -26.28 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.121 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mm-40 -52.36 -59.98 7.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 71.12 110.856 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.83 ' HG3' HD13 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.78 -21.66 33.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.249 . . . . 61.12 112.359 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -66.86 -33.28 75.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 62.32 110.884 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -54.54 -61.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.917 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -25.15 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.879 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.46 -24.47 36.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.52 110.876 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 67' ' ' THR . 0.1 OUTLIER -55.63 -34.71 65.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 61.41 110.85 -179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.36 -21.0 62.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 52.23 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.591 HD22 ' HD3' ' A' ' 80' ' ' LYS . 29.6 mt -74.96 -47.57 28.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 71.22 110.89 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 64' ' ' SER . 9.2 t -65.19 -14.29 60.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.21 111.137 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.94 -13.65 33.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 65.14 112.42 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -21.37 21.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 74.22 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.719 HG21 ' HG2' ' A' ' 81' ' ' MET . 3.0 t -86.68 -31.84 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 52.31 111.123 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CB ' HD12 ' A' ' 16' ' ' LEU . 12.3 m-85 -92.24 0.97 57.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -104.98 -64.16 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.928 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -151.8 71.62 8.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.664 0.745 . . . . 73.43 110.874 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.29 17.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 63.44 112.352 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.4 43.46 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 64.25 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.87 164.8 0.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 71.15 110.88 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -14.72 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 64.02 110.863 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.43 44.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.479 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' HG22 ' A' ' 82' ' ' THR . 4.2 mm-40 -57.19 -59.52 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.966 0.412 . . . . 44.5 110.897 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.591 ' HD3' HD22 ' A' ' 66' ' ' LEU . 1.6 mmtt -81.02 -19.98 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 61.22 110.901 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.719 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.2 mtt -71.15 -50.98 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.846 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 79' ' ' GLU . 6.5 t -55.35 -28.19 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.24 111.145 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 87' ' ' VAL . 56.4 mt-10 -88.01 -19.98 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 62.22 110.908 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.11 -21.01 31.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.853 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -82.64 -50.22 8.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.936 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.7 t -62.11 -17.97 59.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.907 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 83' ' ' GLU . 3.1 t -72.93 -31.79 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 74.42 111.155 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.7 mt -81.99 -34.89 29.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 61.51 110.929 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 92' ' ' THR . 0.0 OUTLIER -77.73 -35.67 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.888 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -80.72 -19.96 43.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.83 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.9 tp -72.98 -47.93 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.922 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.2 t -53.95 -26.88 27.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 72.32 111.147 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.52 -27.15 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 72.1 110.877 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -28.8 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.933 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 39.0 tp -83.25 -48.58 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 70.43 110.931 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -57.63 -26.54 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.931 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -12.94 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 63.05 110.894 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.658 HD13 ' CE2' ' A' ' 51' ' ' TYR . 1.8 tp -52.0 -24.38 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.165 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.87 -19.46 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 71.03 111.156 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -85.32 -20.03 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.857 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.638 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -103.65 -55.47 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 55.25 110.928 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.638 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.05 81.47 26.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 74.34 111.089 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -3.44 12.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 63.3 112.375 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -35.38 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 69.8 p -90.6 -15.39 30.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.45 111.201 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.9 t -52.81 -23.96 7.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.461 . . . . 64.44 110.885 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.07 -18.42 34.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 73.55 110.853 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.506 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.87 -14.27 56.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 63.32 111.079 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.57 -57.49 8.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 73.32 111.154 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.4 Cg_endo -69.68 -14.12 35.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.715 2.277 . . . . 72.55 112.358 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.962 HD13 HG23 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -84.35 -61.3 1.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.918 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 108' ' ' ALA . 1.4 tt -77.21 -22.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 73.4 111.103 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.18 -26.86 13.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 35.23 112.479 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.28 -31.83 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 75.44 110.864 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.491 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 4.7 m-85 -85.37 -34.25 21.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 74.03 110.946 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 73.33 110.875 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -28.14 65.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 64.04 110.931 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -60.26 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.03 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.565 HG23 HD11 ' A' ' 26' ' ' ILE . 2.3 m -66.54 -39.95 88.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.145 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -56.12 -25.76 47.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 70.12 110.92 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.88 -22.49 27.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.816 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.15 -27.23 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.898 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 119' ' ' THR . 59.1 t -56.15 -24.92 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.109 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.13 -20.0 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.9 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -43.78 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 74.15 110.872 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.744 ' HA ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -58.61 -41.08 85.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 61.43 110.836 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.3 pt -77.26 -24.38 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 62.34 111.134 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -74.5 -44.25 52.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.881 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.49 HD12 ' CG2' ' A' ' 19' ' ' VAL . 38.0 mt -58.37 -45.0 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.141 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.566 HG21 HG12 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -78.9 -22.53 45.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.175 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.08 -18.55 47.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.869 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.09 -20.47 38.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 51.53 110.87 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -74.03 -20.0 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.4 111.191 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.03 -23.82 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.35 111.165 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.89 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.641 ' HB3' HD13 ' A' ' 12' ' ' ILE . 4.0 m170 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.82 0.343 . . . . 73.31 110.824 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -173.34 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 51.11 111.11 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 16.3 mmt -80.43 -44.58 19.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -90.25 -18.96 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 71.34 111.163 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.641 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.5 OUTLIER -83.45 -28.5 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.22 111.172 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -83.93 -20.51 32.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.889 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.44 -41.9 31.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.858 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.744 HG21 HG21 ' A' ' 129' ' ' ILE . 7.1 mm -56.1 -25.0 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 51.31 111.132 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -54.71 -42.54 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.914 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' N ' HD23 ' A' ' 16' ' ' LEU . 21.7 mttt -61.51 -18.81 60.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.21 110.895 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 t -77.17 -39.04 50.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 63.3 110.857 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.09 -28.18 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 41.35 111.191 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.89 -18.95 45.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 60.01 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.11 -49.68 48.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -38.74 72.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 64.22 110.913 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.3 mt -51.73 -41.7 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 64.44 111.166 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.0 -21.01 40.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 54.11 110.892 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -59.02 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.862 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 tt -86.04 -19.99 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.1 111.12 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.41 -24.63 76.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 64.03 112.441 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -91.99 -31.54 15.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.286 . . . . 72.12 111.129 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -70.23 -17.96 63.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.901 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.77 -24.13 44.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 72.25 110.83 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -71.19 -20.92 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.2 111.111 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -87.69 -55.5 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.25 110.919 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.26 -26.29 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 73.35 111.074 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.42 -40.4 91.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 60.33 112.492 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.43 -21.86 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 75.4 110.851 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.69 -35.39 45.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.446 HG12 HD12 ' A' ' 111' ' ' LEU . 1.1 mp -76.32 -50.41 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 71.45 111.176 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -55.83 -56.42 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 60.43 110.856 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mp -51.33 -36.65 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 44.14 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.56 -41.49 88.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 23.43 110.854 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.18 -40.51 67.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.936 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -179.53 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.861 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.15 16.66 49.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 34.52 112.527 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -101.49 -174.48 28.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.738 . . . . 55.23 112.454 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.08 163.05 10.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 75.51 112.494 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.83 -61.25 7.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 72.44 112.527 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.34 -171.88 48.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 53.02 112.477 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.27 -178.35 19.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 71.44 112.47 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -10.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 63.44 112.327 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.16 -27.16 39.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 61.1 110.899 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.92 -36.99 85.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 61.11 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.31 -52.03 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.886 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.23 -32.15 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 75.11 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -72.98 -36.49 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.14 111.095 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.04 -24.53 28.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.11 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.48 -45.14 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 44.1 111.118 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.4 mm -75.12 -22.7 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 53.3 111.104 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.3 mt-10 -51.41 -60.51 5.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 71.5 110.907 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.811 ' HG3' HD13 ' A' ' 91' ' ' LEU . 54.2 Cg_endo -69.79 -26.41 27.46 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.68 2.253 . . . . 72.54 112.354 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -32.71 74.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.878 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -53.04 -57.12 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 65.31 110.859 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -25.49 41.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.904 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.46 -24.88 31.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 64.43 110.882 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -39.27 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.868 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.87 -24.76 58.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 71.2 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.85 -34.31 76.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 m -62.65 -19.26 63.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.35 111.129 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.53 -13.84 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 62.42 112.477 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.802 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.7 tp -91.05 -9.12 46.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.846 0.355 . . . . 71.01 110.895 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.589 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.06 -31.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 63.21 111.086 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -98.07 1.17 47.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.53 110.918 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -123.09 -58.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.909 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.76 73.53 2.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.716 . . . . 72.04 110.929 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.17 17.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.7 2.267 . . . . 73.14 112.349 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 m -104.19 -15.81 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.119 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.96 -170.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 50.41 110.883 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.7 p -63.28 -16.52 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 70.32 110.839 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.85 37.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 65.53 112.469 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.89 -52.37 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 63.51 110.906 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.802 ' HD2' HD23 ' A' ' 69' ' ' LEU . 1.8 mmtt -81.01 -20.02 42.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 50.03 110.89 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.589 ' HG2' HG21 ' A' ' 70' ' ' VAL . 17.1 mtt -78.62 -51.88 9.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.896 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 t -51.93 -29.6 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 64.53 111.089 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 87' ' ' VAL . 19.2 tt0 -85.83 -30.17 23.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 64.43 110.908 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -26.0 50.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 64.43 110.895 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.77 -37.68 29.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 64.43 110.883 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -17.98 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.897 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 83' ' ' GLU . 4.9 t -72.9 -27.99 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.52 111.134 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.5 mt -86.03 -35.5 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 64.01 110.912 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.49 ' O ' HG22 ' A' ' 92' ' ' THR . 4.2 tppt? -77.5 -35.68 53.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.9 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 56.7 m -80.74 -19.94 43.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.877 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.811 HD13 ' HG3' ' A' ' 59' ' ' PRO . 2.0 tp -73.09 -47.47 44.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 52.43 110.894 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.1 t -53.73 -27.4 28.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.179 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -31.01 61.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.878 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -23.06 32.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.05 110.882 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.5 tp -83.11 -39.97 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.947 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -66.51 -30.45 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.897 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -12.2 61.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.907 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 tp -51.73 -23.58 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 74.51 111.168 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.43 -19.88 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 63.25 111.115 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.75 -19.83 32.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 61.21 110.888 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.644 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.65 -55.33 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.929 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.94 80.94 28.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.626 0.726 . . . . 75.14 111.179 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -3.37 11.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.735 2.29 . . . . 65.43 112.331 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -35.43 75.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 65.51 110.885 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.5 p -90.77 -15.52 30.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.167 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.3 t -55.09 -22.17 15.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.14 110.848 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.14 -18.32 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 24.45 110.862 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.9 -14.26 56.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 52.53 111.094 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.535 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.61 -57.5 8.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.655 0.74 . . . . 75.34 111.13 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.81 -13.97 35.26 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.663 2.242 . . . . 74.43 112.332 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.446 HD12 HG12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.41 -61.28 1.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 73.32 110.897 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 108' ' ' ALA . 1.4 tt -77.18 -22.15 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.51 111.103 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.79 -27.47 13.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 44.31 112.501 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -61.62 -34.81 76.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.805 0.336 . . . . 70.23 110.942 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.37 -33.11 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.965 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -65.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 74.35 110.912 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.47 -25.01 61.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 72.42 110.874 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -59.57 5.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.863 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.0 p -64.87 -37.07 86.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.143 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.97 -39.92 63.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.863 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.33 -17.25 46.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.911 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.07 -50.64 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.24 110.888 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.81 -25.3 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 64.42 111.095 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.422 ' O ' HD12 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -61.58 -20.64 63.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.94 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -28.11 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 53.33 110.892 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.48 ' HA ' HG21 ' A' ' 19' ' ' VAL . 21.6 m -52.1 -36.34 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 70.04 110.83 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -83.94 -37.73 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 72.11 111.155 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -40.57 64.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.911 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.744 HG21 HG21 ' A' ' 15' ' ' ILE . 58.5 mt -67.52 -55.89 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 65.13 111.196 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.546 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -59.44 -22.5 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.167 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.06 -18.61 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.15 110.862 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -20.18 35.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.891 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -74.89 -19.69 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 74.11 111.124 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -63.78 -22.94 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.112 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 61.21 110.875 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.9 m80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.804 0.335 . . . . 62.45 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.52 -46.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 54.44 111.088 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -32.27 47.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.857 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.71 -19.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 75.43 111.089 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -28.61 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.106 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -63.76 -30.82 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.894 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -29.14 42.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 55.1 110.927 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 mm -56.11 -24.96 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.598 HD13 ' CD1' ' A' ' 71' ' ' PHE . 45.7 tp -55.39 -33.57 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 45.25 110.955 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -18.95 61.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 51.22 110.904 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.4 t -77.97 -38.13 45.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.896 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.732 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.04 -28.31 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.132 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.435 ' CE2' HG21 ' A' ' 67' ' ' THR . 0.1 OUTLIER -80.91 -18.97 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.892 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -72.65 -47.81 44.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.844 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -37.27 70.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.01 110.882 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.0 mt -51.75 -40.52 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.136 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.09 -20.95 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 61.41 110.85 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -69.87 -59.06 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.868 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tp -70.52 -20.02 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 54.03 111.094 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.02 -15.99 79.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 73.11 112.559 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.2 m -90.71 -21.02 21.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 74.2 111.108 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -84.09 -31.82 25.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 72.44 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -17.98 65.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 50.02 110.88 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.18 -20.48 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.121 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -86.8 -55.44 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 73.42 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.17 -22.45 28.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 63.12 111.082 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.74 -40.47 31.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.469 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.473 ' O ' HD23 ' A' ' 39' ' ' LEU . 26.3 mmm-85 -88.67 -20.14 25.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 73.21 110.899 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -80.36 -38.16 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 72.1 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.67 -48.83 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.134 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.04 -59.17 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.882 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.61 -33.86 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.908 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t -59.49 -42.01 91.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.1 110.881 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 108' ' ' ALA . 6.3 mt-30 -82.62 -44.34 15.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.868 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.85 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.875 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.23 11.78 59.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 74.22 112.473 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.49 -157.51 8.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.745 . . . . 73.02 112.459 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.34 110.14 2.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 63.42 112.524 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.21 -132.71 37.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.74 . . . . 72.3 112.452 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.21 158.94 3.03 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.696 -0.764 . . . . 52.33 112.47 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.92 -165.26 30.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 70.23 112.516 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -9.79 26.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.221 . . . . 73.31 112.358 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.04 -30.75 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.91 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -72.98 -34.27 66.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.96 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -39.6 93.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 61.13 110.887 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -26.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.25 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t -77.1 -31.43 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 75.1 111.095 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.24 -24.66 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 63.1 110.855 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -86.09 -45.34 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 63.24 111.135 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.5 mm -74.59 -22.65 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 73.01 111.105 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.9 mt-10 -52.01 -60.73 5.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.697 0.76 . . . . 72.25 110.87 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.667 ' HG3' HD13 ' A' ' 91' ' ' LEU . 53.1 Cg_endo -69.8 -24.87 29.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 73.33 112.337 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -31.18 71.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 53.12 110.945 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -60.89 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 53.43 110.89 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -55.9 -25.45 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.51 110.91 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.54 -24.68 33.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -37.24 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.835 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.03 -21.61 40.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.889 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.01 -36.01 74.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.894 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.453 HG22 HD11 ' A' ' 16' ' ' LEU . 10.4 m -62.63 -18.79 62.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 71.35 111.134 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.01 -13.85 35.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 62.42 112.446 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.705 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.5 tp -91.06 -8.79 47.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 74.53 110.89 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.408 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.07 -31.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 51.12 111.109 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CD1' HD13 ' A' ' 16' ' ' LEU . 25.8 m-85 -97.8 1.17 48.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 65.01 110.866 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -118.82 -60.35 1.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.906 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 mt -142.24 75.13 20.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 74.01 110.901 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.36 17.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 72.11 112.352 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.9 m -57.67 -22.6 46.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 61.33 111.15 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -176.16 -172.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.21 110.873 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.0 p -62.44 -17.22 58.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 64.04 110.861 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.77 29.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 65.32 112.46 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.61 -44.35 13.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 75.01 110.9 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.705 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -81.05 -33.43 33.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.912 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.489 ' SD ' HG23 ' A' ' 127' ' ' ILE . 17.4 mtt -69.46 -52.09 29.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 71.2 110.916 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 t -53.37 -28.88 31.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.145 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 87' ' ' VAL . 10.4 tt0 -79.32 -30.48 42.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.891 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -21.0 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.822 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -41.07 20.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.911 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -62.1 -17.98 59.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.884 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 83' ' ' GLU . 58.2 t -65.39 -26.35 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 60.42 111.112 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.99 -34.55 20.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.926 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 92' ' ' THR . 2.9 ttmt -77.43 -35.9 53.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 51.43 110.894 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.7 m -80.18 -19.92 45.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 63.42 110.873 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.667 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.6 tp -73.18 -48.3 36.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 72.1 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.42 -27.47 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.45 111.168 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -30.42 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 50.43 110.858 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -23.18 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.904 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.0 tp -83.11 -51.89 7.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 65.21 110.958 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -57.74 -26.71 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.931 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -12.93 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.85 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' A' ' 51' ' ' TYR . 1.6 tp -51.94 -24.31 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 64.04 111.126 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.607 HG22 ' HB2' ' A' ' 106' ' ' SER . 40.3 t -57.73 -19.71 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 71.23 111.137 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -84.88 -19.75 31.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 64.44 110.899 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.651 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.85 -55.43 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 71.54 110.933 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.651 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.03 81.36 27.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 61.32 111.138 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -3.55 12.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 65.42 112.308 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -35.54 75.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.882 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.71 -15.48 30.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 71.42 111.12 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.607 ' HB2' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -52.79 -24.04 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 71.04 110.835 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -59.14 -18.42 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 74.52 110.816 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.05 -14.16 56.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.33 111.115 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.51 -57.46 8.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 53.53 111.125 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.3 Cg_endo -69.73 -14.16 35.78 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.7 2.267 . . . . 73.21 112.363 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -61.36 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 65.11 110.914 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 108' ' ' ALA . 9.7 tt -76.95 -21.99 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.23 111.126 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.99 -26.9 12.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.658 -0.782 . . . . 45.42 112.491 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.54 -32.88 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.342 . . . . 74.05 110.89 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 47.0 m-85 -85.42 -32.54 22.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 63.13 110.852 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mtp -51.78 -65.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 75.41 110.88 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.12 -24.89 67.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 70.14 110.932 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.96 -62.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.55 110.858 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 123' ' ' VAL . 16.9 p -67.32 -38.07 84.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 75.21 111.173 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -54.55 -27.86 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.09 -26.45 28.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 72.35 110.88 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -84.53 -26.34 28.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 73.35 110.855 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 119' ' ' THR . 94.2 t -56.09 -25.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 73.11 111.095 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -60.99 -24.68 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 65.53 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.3 t -53.43 -34.91 59.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 65.11 110.858 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.732 ' HA ' HG21 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -52.01 -51.16 59.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.88 -179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.489 HG23 ' SD ' ' A' ' 81' ' ' MET . 1.8 mp -83.98 -24.03 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 64.24 111.155 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -33.07 69.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 65.44 110.956 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.16 -57.41 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 70.24 111.139 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 134' ' ' ILE . 1.3 p -58.0 -22.53 50.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.24 111.151 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.05 -18.47 46.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 65.13 110.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.59 -25.59 28.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -25.18 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 62.4 111.118 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 130' ' ' THR . 1.4 pp -68.49 -22.56 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.123 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 71.01 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.791 0.329 . . . . 75.11 110.865 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.98 176.84 11.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 62.02 111.112 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -125.98 -63.31 1.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 72.01 110.847 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.6 t60 56.57 91.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 74.15 110.83 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -73.32 98.57 2.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 74.3 110.846 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.03 -170.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 75.14 110.84 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -53.3 162.43 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 71.13 110.89 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.703 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -109.94 106.36 15.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.32 110.858 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.518 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -168.93 -47.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 74.44 111.103 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.1 -44.47 19.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.923 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.3 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 74.2 111.105 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.703 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.4 -28.54 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 64.1 111.148 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.79 -19.02 59.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 65.13 110.864 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -79.59 -36.83 37.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.865 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -56.05 -25.03 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 71.33 111.13 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tt -52.26 -52.23 53.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 72.01 110.913 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -61.4 -18.95 61.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 73.34 110.939 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.27 -38.86 50.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.885 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.666 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -87.99 -28.1 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 70.3 111.124 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.586 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.86 -18.89 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 74.54 110.822 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -72.3 -57.91 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 71.14 110.905 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.72 -39.43 71.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 75.33 110.87 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 20' ' ' PHE . 53.2 mt -51.98 -33.72 16.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 51.41 111.118 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.2 m -81.07 -29.02 35.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.188 -0.46 . . . . 71.5 110.838 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.51 -59.08 6.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 61.34 110.896 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.7 tt -86.08 -19.94 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.21 111.107 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -76.72 -43.53 18.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 65.45 112.45 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 59.3 m -73.62 -29.93 62.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.783 0.325 . . . . 71.05 111.127 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.35 -30.98 70.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 65.32 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -18.67 63.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 74.0 110.859 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.67 -20.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 73.52 111.122 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -86.19 -59.18 2.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 60.33 110.863 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.82 -22.08 33.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 74.2 111.092 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.76 -38.94 26.22 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.706 -0.759 . . . . 61.31 112.447 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.53 -23.56 23.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 64.31 110.827 -179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mp -77.02 -38.91 52.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 64.54 110.939 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.998 HG23 HD13 ' A' ' 111' ' ' LEU . 1.3 mp -74.47 -41.4 49.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 74.04 111.114 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -63.11 -59.26 5.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.42 110.9 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.8 mm? -51.09 -33.15 24.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t -59.8 -41.25 90.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 71.41 110.896 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.536 ' OE1' ' HB2' ' A' ' 108' ' ' ALA . 3.5 mt-30 -84.17 -44.05 14.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 75.21 110.905 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.85 -35.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.02 19.51 56.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 64.32 112.473 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -129.11 -105.43 1.19 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 45.55 112.538 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.84 -144.3 17.13 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 73.1 112.519 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.21 -27.8 24.73 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.695 -0.764 . . . . 72.24 112.502 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.9 -140.29 3.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 72.22 112.46 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.54 -165.11 24.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 63.35 112.441 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -9.7 26.72 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 75.42 112.329 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.27 -22.21 59.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 65.01 110.952 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -22.91 61.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 73.45 110.973 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.484 ' HD2' HG23 ' A' ' 53' ' ' VAL . 1.3 t80 -80.48 -35.5 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.01 110.835 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.484 HG23 ' HD2' ' A' ' 52' ' ' PHE . 54.6 t -88.21 -27.26 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.32 111.16 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.8 t -75.66 -34.07 28.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 64.11 111.148 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.491 ' OD1' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -86.07 -24.55 26.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 61.2 110.917 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.7 t -86.26 -42.15 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 74.4 111.082 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.9 mm -78.44 -23.66 13.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 64.34 111.101 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.532 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.5 tt0 -51.06 -58.53 10.1 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.671 0.748 . . . . 64.45 110.909 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 54.0 Cg_endo -69.75 -29.93 23.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.267 . . . . 72.52 112.335 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 53.3 m -64.19 -37.24 86.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 73.33 110.879 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -58.78 6.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 64.12 110.917 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -25.69 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 64.33 110.94 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.463 ' HA ' HD12 ' A' ' 66' ' ' LEU . 2.2 t80 -83.28 -24.85 32.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 65.31 110.898 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -37.62 63.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 72.22 110.82 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -80.5 -22.22 41.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 65.24 110.922 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.695 HD13 ' OG ' ' A' ' 84' ' ' SER . 96.4 mt -71.7 -42.02 67.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 62.33 110.951 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.417 HG21 ' CE2' ' A' ' 20' ' ' PHE . 12.4 m -62.45 -17.98 60.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 75.24 111.154 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.85 -12.74 42.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 63.13 112.457 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.794 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.9 tp -91.03 -8.41 49.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 70.4 110.864 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.648 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.6 t -95.1 -31.56 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 64.23 111.081 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -99.12 1.14 44.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.01 110.814 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -123.21 -57.72 1.67 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 70.31 110.917 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 26.0 tp -114.22 72.41 2.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 71.14 110.941 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 128.93 16.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 54.34 112.374 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.4 m -100.49 -15.79 17.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 72.54 111.159 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -178.12 -170.52 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 65.43 110.882 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.09 -16.59 60.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.903 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.96 38.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.5 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.05 -68.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.938 0.399 . . . . 64.42 110.902 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.794 ' HD2' HD23 ' A' ' 69' ' ' LEU . 8.2 mmtt -56.21 -25.15 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 62.2 110.913 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.648 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.5 mtt -78.57 -61.03 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 74.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.6 t -57.5 -25.83 60.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 44.21 111.132 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.18 -31.57 38.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.1 110.9 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.695 ' OG ' HD13 ' A' ' 66' ' ' LEU . 69.3 m -85.06 -26.39 27.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.2 110.856 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 -35.05 79.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.494 . . . . 75.5 110.907 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -17.93 59.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.877 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -80.42 -28.45 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 72.55 111.137 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.9 mt -68.66 -36.78 79.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.921 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.469 ' O ' HG22 ' A' ' 92' ' ' THR . 2.2 mtpt -79.9 -33.76 39.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 63.44 110.891 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -81.12 -19.91 42.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 42.44 110.831 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.531 HD22 ' HB2' ' A' ' 59' ' ' PRO . 2.4 tp -70.12 -46.17 65.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 74.44 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.0 t -53.51 -27.17 24.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 72.35 111.177 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -27.0 37.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.903 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -27.98 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 74.22 110.898 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.491 HD13 ' OD1' ' A' ' 55' ' ' ASN . 14.8 tp -83.18 -39.52 20.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.903 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.405 ' O ' HG23 ' A' ' 99' ' ' VAL . 59.0 mttm -66.45 -30.43 70.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 72.52 110.876 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.13 -12.21 61.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 73.41 110.921 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -51.78 -23.75 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.102 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.493 HG22 ' HB2' ' A' ' 106' ' ' SER . 40.4 t -57.53 -19.82 12.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 64.22 111.151 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.69 -19.96 31.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 65.05 110.842 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.635 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -103.59 -55.52 2.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.871 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.635 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.03 81.29 27.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.668 0.747 . . . . 53.03 111.156 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -3.97 13.05 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.681 2.254 . . . . 74.45 112.398 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.85 -35.7 74.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 71.13 110.876 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.3 p -90.91 -15.41 29.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 71.23 111.142 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.493 ' HB2' HG22 ' A' ' 99' ' ' VAL . 1.3 t -52.72 -24.36 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 73.33 110.829 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.15 -18.51 36.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 54.31 110.866 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.536 ' HB2' ' OE1' ' A' ' 41' ' ' GLN . . . -82.25 -14.02 56.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.069 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.535 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.32 -57.44 8.48 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 64.21 111.115 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.79 -14.39 35.92 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.704 2.27 . . . . 72.22 112.309 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.998 HD13 HG23 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -84.34 -61.5 1.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 62.3 110.942 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 108' ' ' ALA . 11.3 tt -76.6 -21.99 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 43.1 111.182 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.21 -27.02 14.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.74 -0.743 . . . . 53.4 112.471 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -60.96 -31.7 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.336 . . . . 60.42 110.941 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -85.2 -31.49 23.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 72.03 110.938 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.05 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.071 -0.513 . . . . 74.41 110.853 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -29.13 65.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 65.0 110.901 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -62.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 72.51 110.864 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 91.6 m -65.17 -36.46 84.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 70.42 111.111 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.556 ' O ' HG12 ' A' ' 123' ' ' VAL . 0.0 OUTLIER -54.62 -33.81 61.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 75.45 110.897 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.94 -17.31 35.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 64.32 110.915 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -86.0 -36.1 19.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 70.32 110.886 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 120' ' ' LYS . 13.0 p -57.73 -22.95 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 70.12 111.125 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 87.1 mt-10 -59.28 -21.63 59.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.911 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -30.0 27.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 74.04 110.855 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.8 p -52.12 -50.4 61.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 72.13 110.888 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.421 ' H ' HD12 ' A' ' 127' ' ' ILE . 2.8 mp -78.16 -24.01 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.25 111.157 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -51.02 63.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 75.51 110.902 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.666 HD12 HG23 ' A' ' 19' ' ' VAL . 28.6 mt -60.36 -49.64 83.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 73.51 111.115 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.466 HG21 ' HE3' ' A' ' 81' ' ' MET . 0.1 OUTLIER -58.47 -22.49 54.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 73.23 111.171 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.613 ' O ' HG22 ' A' ' 134' ' ' ILE . 0.3 OUTLIER -59.92 -18.73 47.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 72.13 110.932 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -84.75 -33.4 23.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 74.4 110.92 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.1 -21.46 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 75.35 111.146 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.613 HG22 ' O ' ' A' ' 131' ' ' GLU . 1.1 tt -52.8 -28.16 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 73.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.71 -36.1 24.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 63.21 110.877 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -42.52 8.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 74.34 111.135 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -55.52 -53.89 50.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 74.41 110.833 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -53.46 -53.48 50.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 73.3 110.889 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -74.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 72.2 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 63.4 110.9 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.776 0.322 . . . . 74.33 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.96 -59.53 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 54.12 111.127 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -135.94 165.02 26.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -144.09 -43.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 62.34 110.857 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -97.04 94.13 6.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.846 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.95 -173.61 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 72.23 110.888 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -57.2 175.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 74.53 110.846 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.724 ' HB3' HD13 ' A' ' 12' ' ' ILE . 1.3 m80 -90.58 106.06 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 75.14 110.86 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.503 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.29 -47.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 74.21 111.094 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.6 mmt -80.24 -44.51 19.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 52.02 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -90.34 -18.95 7.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 73.31 111.121 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.724 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.48 -28.41 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 65.43 111.138 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -86.07 -19.67 29.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 52.35 110.816 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -82.43 -49.63 9.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 75.13 110.85 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -55.63 -25.58 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.45 111.117 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.601 HD13 ' CD1' ' A' ' 71' ' ' PHE . 4.6 tp -52.28 -52.03 55.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.45 . . . . 53.45 110.932 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.6 mtmt -61.79 -18.96 61.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 60.42 110.864 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.91 -38.22 46.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 65.34 110.846 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.886 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -87.97 -28.16 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 74.51 111.096 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.95 -18.91 45.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 73.45 110.871 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -73.49 -44.52 57.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 71.23 110.865 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -40.59 86.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 71.1 110.899 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 20' ' ' PHE . 23.0 mt -51.76 -36.74 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 42.43 111.126 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.449 ' O ' HG23 ' A' ' 28' ' ' THR . 1.6 m -81.0 -26.19 36.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.909 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -59.05 6.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.893 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.6 tt -81.9 -19.97 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.34 111.128 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.732 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -73.51 -46.95 23.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 70.33 112.53 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 24' ' ' CYS . 17.1 p -51.99 -42.2 62.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.743 0.306 . . . . 62.35 111.149 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.97 -24.56 58.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 60.02 110.911 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.02 -20.43 38.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 75.44 110.808 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 27' ' ' GLY . 59.3 t -66.31 -20.56 27.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.072 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.61 -56.5 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.907 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.34 -23.19 35.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 74.21 111.091 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -73.75 -40.73 44.63 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 75.04 112.479 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.488 ' O ' HD13 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.79 -22.35 23.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.887 0.375 . . . . 62.32 110.87 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mp -78.19 -36.05 47.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 64.22 110.883 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.781 HG23 HD13 ' A' ' 111' ' ' LEU . 1.0 OUTLIER -72.82 -39.38 59.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 75.3 111.124 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -45.92 59.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 63.35 110.89 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 35' ' ' ARG . 1.7 mp -51.66 -45.17 63.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 75.31 110.946 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.68 -35.73 63.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 74.34 110.874 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.636 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 36.6 mm-40 -61.82 -36.44 81.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 75.4 110.855 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -179.56 -34.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.867 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.48 16.27 49.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 65.22 112.471 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -113.51 -62.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 53.42 112.516 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 55.6 -133.28 49.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 64.21 112.502 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.15 -80.13 1.48 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 53.41 112.476 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.39 -139.49 3.21 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 15.4 112.469 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.49 -179.16 42.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.701 -0.761 . . . . 75.43 112.45 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -10.82 29.48 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.662 2.241 . . . . 74.04 112.353 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.502 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.31 -21.93 42.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 65.35 110.918 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -32.08 49.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 74.41 110.971 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' HD2' HG13 ' A' ' 53' ' ' VAL . 12.1 t80 -63.62 -56.42 15.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 74.4 110.928 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.496 HG13 ' HD2' ' A' ' 52' ' ' PHE . 14.5 m -67.8 -31.92 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 51.43 111.139 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.79 -35.21 54.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 64.21 111.1 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.422 HD22 ' N ' ' A' ' 55' ' ' ASN . 1.6 m-80 -86.77 -24.61 25.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 74.31 110.839 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.6 t -85.56 -45.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 44.03 111.134 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.6 mt -75.11 -22.65 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 62.21 111.144 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.43 -60.76 5.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.623 0.725 . . . . 62.12 110.863 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.4 Cg_endo -69.74 -29.81 23.39 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.687 2.258 . . . . 62.04 112.33 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -65.87 -28.37 68.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 71.01 110.937 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -57.16 -56.65 19.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.897 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.15 -26.88 41.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 71.14 110.894 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.56 ' HB2' HG11 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -85.0 -25.03 27.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 71.2 110.869 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 61.2 m -56.04 -41.29 74.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 72.11 110.86 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -57.03 -28.6 62.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 53.12 110.879 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.732 HD13 ' HA ' ' A' ' 84' ' ' SER . 19.9 mt -71.09 -40.64 71.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 60.14 110.925 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.4 m -62.48 -20.02 64.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 64.42 111.153 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.55 -13.83 36.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 62.13 112.426 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.681 HD23 ' HD2' ' A' ' 80' ' ' LYS . 9.4 tp -91.09 -7.88 50.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 72.32 110.952 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.4 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.07 -31.63 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 72.21 111.111 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.601 ' CD1' HD13 ' A' ' 16' ' ' LEU . 55.2 m-85 -98.76 1.14 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 72.24 110.84 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -118.54 -59.47 1.87 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.941 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 tp -142.94 75.13 17.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.57 0.7 . . . . 72.13 110.951 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 129.28 17.38 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.692 2.261 . . . . 74.45 112.365 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 93.0 m -58.67 -21.38 54.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 72.11 111.14 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -176.55 -172.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.858 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.437 ' HB2' HG22 ' A' ' 134' ' ' ILE . 0.3 OUTLIER -62.35 -17.31 58.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 63.43 110.875 -179.788 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.92 29.91 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.77 -0.729 . . . . 65.13 112.494 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -84.75 -45.98 11.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.93 0.395 . . . . 73.21 110.882 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.681 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -78.06 -33.7 50.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 55.43 110.891 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.523 ' SD ' HG22 ' A' ' 127' ' ' ILE . 21.8 mtt -68.93 -55.42 11.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 75.23 110.849 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 t -52.59 -28.73 22.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 70.22 111.158 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.65 ' O ' HG23 ' A' ' 87' ' ' VAL . 29.4 mm-40 -78.29 -33.31 49.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 75.54 110.927 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.732 ' HA ' HD13 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -81.43 -26.08 35.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 73.51 110.824 -179.8 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -67.69 -49.07 64.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 72.14 110.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -62.2 -18.05 59.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 74.43 110.826 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 83' ' ' GLU . 84.3 t -75.16 -22.89 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 70.41 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.764 HD13 HG11 ' A' ' 123' ' ' VAL . 39.6 mt -69.88 -34.82 74.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 64.44 110.882 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.16 -27.35 28.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 71.43 110.895 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.88 -19.89 28.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 61.42 110.848 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.478 HD12 ' HB2' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -71.87 -42.79 66.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 72.5 110.912 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 t -57.01 -23.66 47.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 65.24 111.146 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.51 -37.64 50.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.53 110.855 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -34.15 76.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 74.54 110.87 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.44 -36.26 24.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 75.54 110.879 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -67.93 -32.52 73.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.443 . . . . 70.41 110.897 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.84 -12.35 61.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 75.14 110.905 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.82 -23.78 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.41 111.138 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.59 -19.57 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 72.23 111.158 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.2 -20.04 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.14 110.843 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.646 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.63 -55.52 2.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 61.4 110.896 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.646 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.02 81.24 27.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.7 . . . . 72.43 111.18 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -3.66 12.46 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.664 2.243 . . . . 71.14 112.38 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.77 -35.52 74.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 53.52 110.868 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.6 p -90.78 -15.46 30.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.125 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.7 t -52.74 -24.17 8.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.32 110.886 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -59.27 -18.37 36.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 64.34 110.828 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.636 ' HB2' ' HG3' ' A' ' 41' ' ' GLN . . . -82.09 -14.08 56.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 60.44 111.09 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.46 8.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.648 0.737 . . . . 60.12 111.118 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.78 -14.27 35.79 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.283 . . . . 74.32 112.325 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.781 HD13 HG23 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -84.37 -61.45 1.8 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.875 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.542 HD12 ' HA2' ' A' ' 34' ' ' GLY . 8.4 tt -76.65 -22.03 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 72.43 111.165 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.74 -27.49 13.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 61.13 112.474 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -61.84 -34.96 76.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 75.4 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -85.35 -29.03 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 64.1 110.941 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -52.37 -65.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 74.41 110.875 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -28.52 64.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 72.11 110.872 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.96 -43.34 63.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 73.41 110.902 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 22.9 m -80.35 -36.79 33.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 74.01 111.156 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.556 ' O ' HG12 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -56.6 -28.69 60.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 75.21 110.853 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.04 -16.94 36.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.24 110.912 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -85.98 -36.82 19.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 74.13 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.764 HG11 HD13 ' A' ' 88' ' ' LEU . 13.5 p -56.32 -24.54 18.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 73.44 111.152 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.24 -21.64 59.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.25 110.901 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.1 m -58.95 -22.34 59.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 75.33 110.853 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.9 m -64.09 -56.56 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 73.33 110.824 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.523 HG22 ' SD ' ' A' ' 81' ' ' MET . 24.7 pt -66.25 -28.88 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 72.22 111.11 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -64.08 -46.05 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.894 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.886 HD12 HG23 ' A' ' 19' ' ' VAL . 20.3 mt -71.62 -54.47 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.421 . . . . 72.44 111.14 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.551 ' O ' HG12 ' A' ' 133' ' ' VAL . 7.1 p -58.03 -22.53 50.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 74.22 111.133 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -18.61 47.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 74.11 110.85 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -82.85 -20.0 36.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.923 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -75.34 -20.22 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 64.44 111.124 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.437 HG22 ' HB2' ' A' ' 77' ' ' SER . 1.7 pp -57.32 -23.58 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 71.35 111.116 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -52.89 -29.31 27.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 62.51 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.98 -39.42 9.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 74.32 111.113 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -23.97 67.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 70.43 110.834 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -79.31 -46.21 18.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 62.21 110.835 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 9.6 mtt180 -58.66 -68.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 62.22 110.861 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 73.32 110.87 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.785 0.326 . . . . 55.21 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.37 -61.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 54.51 111.084 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 t60 62.54 168.2 0.12 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 61.12 110.86 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -78.77 -175.33 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 75.52 110.814 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -175.36 147.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 62.4 110.869 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.6 p-80 -114.52 -21.98 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 65.53 110.859 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.13 -170.24 3.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.05 110.846 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.667 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -128.57 106.3 8.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 65.4 110.844 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.92 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 75.54 111.044 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 30.3 mmt -80.23 -44.57 19.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 71.41 110.876 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.31 -18.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 65.43 111.084 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.667 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.3 OUTLIER -83.46 -28.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 70.33 111.096 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -85.7 -19.69 30.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 63.35 110.857 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.77 -41.31 19.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.86 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.477 HG21 HG21 ' A' ' 129' ' ' ILE . 3.5 mm -53.56 -27.89 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.3 111.179 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -54.81 -41.82 71.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 63.02 110.895 179.87 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -65.69 -18.86 65.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.51 110.886 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -40.15 47.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 72.02 110.84 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -88.06 -27.69 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 53.14 111.159 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.658 ' HA ' HD12 ' A' ' 23' ' ' ILE . 2.6 t80 -80.9 -18.94 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.882 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.33 -50.42 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 75.44 110.868 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -35.74 80.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 63.22 110.883 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 20' ' ' PHE . 48.3 mt -52.18 -35.88 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 75.24 111.173 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 m -80.99 -25.93 36.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 64.34 110.855 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -77.56 -59.04 2.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.41 110.927 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -75.28 -20.0 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.14 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.564 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -82.79 -29.69 34.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 63.15 112.497 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 86.9 m -92.0 -21.01 20.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.763 0.316 . . . . 62.44 111.168 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.42 -46.6 31.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 70.22 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.6 m -61.23 -23.36 65.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 74.53 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 27' ' ' GLY . 58.5 t -68.01 -20.49 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 64.44 111.161 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -86.2 -59.19 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 72.33 110.863 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.87 -22.15 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 71.02 111.088 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.707 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -77.65 -39.02 26.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 72.01 112.492 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.427 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.43 -23.54 23.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 73.44 110.868 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.03 -39.01 51.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 61.1 110.898 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 mp -74.42 -40.55 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 72.31 111.148 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.04 -59.35 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 72.25 110.851 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.8 mm? -51.28 -33.42 28.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.927 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -56.25 -42.16 76.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 52.24 110.857 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.667 ' CD ' ' HB2' ' A' ' 108' ' ' ALA . 17.2 mt-30 -78.89 -43.19 25.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 52.13 110.908 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.65 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.896 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.19 27.65 24.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.686 -0.769 . . . . 64.23 112.474 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -135.92 -171.06 12.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 70.54 112.489 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.74 154.14 30.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 75.3 112.532 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 51.98 -136.15 34.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 61.04 112.497 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.38 -156.73 0.19 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.719 -0.753 . . . . 73.44 112.469 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.76 -179.54 19.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.749 . . . . 54.13 112.496 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -10.73 29.34 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.642 2.228 . . . . 74.42 112.366 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.517 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.63 -25.9 41.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 71.24 110.971 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.625 ' HE2' HD12 ' A' ' 98' ' ' ILE . 1.4 t80 -69.77 -37.18 76.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 75.45 110.858 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.404 ' HD1' HD21 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -69.09 -31.02 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 74.0 110.871 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.517 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.8 t -88.13 -28.47 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 43.11 111.125 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 50' ' ' LEU . 19.6 t -80.82 -29.26 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 75.41 111.141 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -87.53 -24.69 23.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.04 110.911 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.587 ' HA ' HD11 ' A' ' 91' ' ' LEU . 4.9 p -89.11 -27.98 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 51.31 111.153 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.14 -26.1 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 70.24 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mt-10 -51.31 -60.13 6.38 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.604 0.716 . . . . 71.44 110.865 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.721 ' HG2' HD13 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.79 -33.65 16.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.687 2.258 . . . . 72.23 112.345 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.3 m -63.29 -31.01 72.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 73.23 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.52 -57.45 11.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.884 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -25.8 40.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.42 . . . . 62.12 110.879 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.47 -24.86 29.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.438 . . . . 70.11 110.878 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -37.18 73.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 72.33 110.816 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -76.57 -22.07 54.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.25 110.907 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.1 mt -69.17 -34.55 75.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 71.43 110.899 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.0 m -62.57 -19.49 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 73.44 111.193 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.19 -14.31 33.73 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.759 -0.734 . . . . 50.04 112.524 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.7 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.4 tp -91.09 -8.59 48.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 75.22 110.91 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.421 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.08 -31.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.4 111.148 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.532 ' HB2' HD12 ' A' ' 16' ' ' LEU . 48.6 m-85 -97.89 1.19 47.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 72.3 110.89 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -118.74 -60.21 1.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 73.13 110.89 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.1 tp -142.66 74.93 18.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 71.22 110.871 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 129.34 17.49 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.258 . . . . 73.13 112.361 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.2 m -57.44 -22.95 46.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 62.31 111.123 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -176.16 -172.74 0.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 74.44 110.861 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.8 p -62.33 -17.3 58.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 73.0 110.913 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.24 30.13 0.18 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 62.41 112.431 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -85.47 -43.93 13.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 52.31 110.875 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.7 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -81.05 -33.9 33.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 54.41 110.878 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.421 ' HG2' HG21 ' A' ' 70' ' ' VAL . 11.3 mtt -69.39 -52.08 30.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.875 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -53.21 -28.84 28.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 42.54 111.118 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.589 ' O ' HG23 ' A' ' 87' ' ' VAL . 34.6 tt0 -77.3 -32.15 55.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 71.25 110.908 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -21.04 29.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 64.23 110.885 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -73.95 -47.6 36.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 75.44 110.887 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -62.14 -17.97 59.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 65.41 110.838 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 83' ' ' GLU . 93.4 t -72.12 -22.97 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 63.13 111.124 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.465 ' CD1' HG11 ' A' ' 123' ' ' VAL . 37.6 mt -83.71 -37.09 23.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.906 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.482 ' O ' HG22 ' A' ' 92' ' ' THR . 0.5 OUTLIER -79.92 -34.13 39.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 64.33 110.914 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.6 p -80.39 -19.97 45.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 72.32 110.871 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.721 HD13 ' HG2' ' A' ' 59' ' ' PRO . 1.5 tp -69.19 -45.58 69.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 75.23 110.936 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.0 t -53.46 -27.28 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.152 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -26.92 35.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 62.43 110.897 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -27.95 29.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 71.03 110.938 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.404 HD21 ' HD1' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -83.2 -33.45 26.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.906 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.5 mttm -64.05 -24.31 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.24 110.885 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -12.12 60.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 61.2 110.898 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.625 HD12 ' HE2' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -51.44 -23.89 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 75.52 111.106 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.37 -19.67 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.2 111.099 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.98 -20.35 30.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 55.14 110.879 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.633 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.63 -55.44 2.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 71.14 110.941 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.9 mp -137.92 82.01 26.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 75.21 111.142 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -3.27 11.68 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 64.22 112.321 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.39 -11.58 60.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 74.41 110.894 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.7 p -79.95 -14.12 58.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 64.21 111.155 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -49.37 -26.66 3.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 65.24 110.842 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.24 -43.4 70.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 64.41 110.878 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.667 ' HB2' ' CD ' ' A' ' 41' ' ' GLN . . . -85.37 -15.08 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 60.34 111.154 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.6 -56.99 9.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.67 0.748 . . . . 74.15 111.131 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.8 -14.21 35.65 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.714 2.276 . . . . 71.33 112.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.37 -43.58 14.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 70.4 110.909 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.707 HD12 ' HA2' ' A' ' 34' ' ' GLY . 12.4 tt -89.06 -22.12 6.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 74.35 111.135 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.92 -27.23 12.86 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 55.41 112.467 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -61.2 -33.96 74.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 52.4 110.872 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -85.34 -35.63 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.958 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 71.53 110.879 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.35 -25.01 61.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.896 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.76 -42.4 88.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 73.25 110.858 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 93.7 m -66.23 -50.2 64.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 42.51 111.143 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 123' ' ' VAL . 3.8 mptp? -56.53 -34.24 66.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.908 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -85.99 -17.04 36.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.87 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -85.97 -38.43 17.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 44.45 110.899 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 88' ' ' LEU . 7.7 p -57.65 -23.11 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 64.45 111.117 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -59.14 -21.69 59.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 73.41 110.891 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 6.5 m -60.25 -38.39 83.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 64.51 110.844 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.515 ' HA ' HG21 ' A' ' 19' ' ' VAL . 58.8 m -52.08 -35.96 49.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 71.34 110.834 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.9 mp -84.08 -34.57 10.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 60.12 111.12 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.6 -51.35 65.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 61.34 110.897 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.477 HG21 HG21 ' A' ' 15' ' ' ILE . 95.3 mt -60.11 -54.17 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 55.24 111.121 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -22.56 59.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 73.23 111.142 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -60.16 -18.46 47.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.883 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -84.71 -19.87 32.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 73.11 110.903 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.556 HG21 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.56 -25.72 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 62.21 111.123 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.77 -22.89 13.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 72.31 111.127 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -83.01 -24.7 32.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.25 110.884 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.05 -44.02 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 64.11 111.129 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -60.96 -30.52 70.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -76.22 -51.87 11.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 73.13 110.821 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -52.03 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.4 110.884 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.85 -179.795 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mtt . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.799 0.333 . . . . 73.04 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.75 111.3 20.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 63.02 111.104 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.9 m170 -118.36 -8.49 10.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.44 110.869 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.21 -175.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 74.22 110.864 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -58.45 105.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 72.14 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -176.81 -169.83 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 74.4 110.873 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 63.29 -170.35 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.845 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.685 ' HB3' HD13 ' A' ' 12' ' ' ILE . 6.5 m80 63.54 105.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.831 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -173.13 -47.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 70.01 111.125 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.6 mtm -80.38 -44.51 19.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 72.01 110.853 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 t -90.29 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 72.15 111.158 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.43 -28.54 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 51.43 111.108 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -78.77 -18.44 54.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 71.44 110.879 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -79.68 -39.29 31.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 74.21 110.9 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.92 -25.01 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 71.03 111.102 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -50.31 63.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 75.21 110.904 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -61.67 -18.92 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 71.21 110.882 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.68 -38.44 47.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 63.11 110.861 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.997 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.08 -28.24 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 54.05 111.116 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.654 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.93 -18.89 45.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 75.41 110.871 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -71.89 -58.06 3.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.838 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.32 -42.81 67.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.891 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 20' ' ' PHE . 68.4 mt -51.78 -35.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.44 111.117 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.418 ' O ' HG23 ' A' ' 28' ' ' THR . 0.1 OUTLIER -81.03 -27.22 35.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 63.44 110.832 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -66.12 -58.95 4.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.917 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tp -82.53 -19.92 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 64.12 111.097 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.476 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -76.2 -15.99 81.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 51.42 112.494 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 24' ' ' CYS . 2.7 p -86.47 -32.8 20.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 71.51 111.173 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -71.47 -39.99 70.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 53.41 110.869 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 39.2 t -60.13 -27.52 67.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 71.13 110.821 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 27' ' ' GLY . 12.3 t -66.59 -20.49 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 63.23 111.165 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -86.79 -55.7 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 63.45 110.829 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.14 -22.59 29.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 72.14 111.078 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.48 -40.67 32.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.728 . . . . 63.12 112.449 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.485 ' O ' HD23 ' A' ' 39' ' ' LEU . 7.3 mmm180 -88.54 -20.35 25.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 72.2 110.876 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.11 -38.08 32.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 65.02 110.918 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.431 HG12 HD12 ' A' ' 111' ' ' LEU . 1.2 mp -73.67 -50.01 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 63.23 111.171 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -54.79 -59.15 5.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.883 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.43 -33.87 32.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.486 . . . . 64.1 110.929 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.7 m -69.0 -43.44 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 55.12 110.84 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.43 -42.39 71.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 61.4 110.93 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -179.63 -34.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.893 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 64.59 16.69 61.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 43.54 112.49 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -128.59 -179.2 15.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.714 -0.755 . . . . 40.53 112.476 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 129.06 114.37 1.75 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 60.44 112.526 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.22 -120.78 11.91 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.765 -0.731 . . . . 43.44 112.481 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.29 -152.99 0.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.781 -0.724 . . . . 53.54 112.517 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.14 -164.89 23.0 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 72.13 112.457 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.66 26.65 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.659 2.239 . . . . 74.34 112.353 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.3 -25.99 59.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -25.68 68.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 53.42 110.933 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -76.74 -53.67 7.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 75.03 110.849 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.2 m -68.05 -32.69 57.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 73.34 111.105 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.2 t -71.91 -39.22 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 62.21 111.157 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -82.33 -24.72 34.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 71.32 110.883 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 t -84.97 -45.62 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 72.42 111.108 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.6 mm -74.96 -22.63 17.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.101 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.0 mt-10 -50.91 -60.66 5.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 61.04 110.883 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.707 ' CG ' HD22 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.74 -33.07 17.39 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.672 2.248 . . . . 63.23 112.335 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.1 m -64.58 -30.69 71.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 75.32 110.846 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -56.99 -59.34 5.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.25 110.915 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.67 -25.73 41.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 65.15 110.958 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -24.9 31.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 63.3 110.854 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -36.55 74.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 75.44 110.845 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -77.38 -21.01 53.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 72.32 110.907 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.3 mt -71.28 -35.43 71.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 65.02 110.909 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.7 m -62.39 -20.87 64.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.45 111.147 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.58 -12.9 42.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 60.12 112.491 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.771 HD23 ' HD2' ' A' ' 80' ' ' LYS . 12.1 tp -91.09 -10.33 42.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 70.14 110.914 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.656 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.6 t -95.11 -31.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.23 111.125 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -97.32 1.09 49.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.903 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -123.52 -58.02 1.62 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.484 . . . . 71.01 110.908 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.57 HD12 HD11 ' A' ' 69' ' ' LEU . 74.3 mt -113.67 73.87 2.25 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.615 0.722 . . . . 63.23 110.882 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 129.0 16.82 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 70.14 112.349 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.3 p -109.58 -13.16 14.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.121 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -177.33 -179.12 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 74.32 110.881 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.4 p -59.54 -21.04 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 62.14 110.834 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.52 40.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 74.22 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.507 ' O ' HG22 ' A' ' 82' ' ' THR . 1.8 mm-40 -72.29 -48.19 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 64.11 110.869 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.771 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -81.14 -19.87 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 44.52 110.912 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.656 ' HG2' HG21 ' A' ' 70' ' ' VAL . 15.0 mtt -78.35 -41.34 33.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.906 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.3 t -56.16 -26.07 49.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 51.15 111.135 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.671 ' O ' HG23 ' A' ' 87' ' ' VAL . 45.4 mm-40 -88.03 -19.97 26.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.919 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.2 m -77.11 -27.68 54.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 62.45 110.847 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -85.06 -37.04 20.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.917 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.0 m -62.19 -18.03 59.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.847 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 83' ' ' GLU . 66.1 t -71.45 -29.89 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 75.42 111.122 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 49.8 mt -86.0 -34.26 20.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 72.53 110.903 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.479 ' O ' HG22 ' A' ' 92' ' ' THR . 0.3 OUTLIER -77.72 -35.57 51.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.904 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.9 t -81.03 -19.98 42.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 64.15 110.884 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.707 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.1 tp -73.52 -47.71 38.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 64.45 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.1 t -53.47 -27.69 26.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 61.23 111.138 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -37.84 62.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.5 110.916 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -83.64 -22.9 32.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 61.53 110.932 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.0 tp -77.12 -38.85 51.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 64.53 110.933 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -68.3 -32.59 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.861 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -11.96 61.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 75.32 110.864 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.79 -23.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 62.14 111.094 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.4 p -57.42 -19.83 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 72.41 111.152 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.78 -19.87 31.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 52.51 110.936 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.636 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.58 -55.41 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 75.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.636 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.95 80.97 28.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 55.21 111.14 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -3.58 12.31 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.283 . . . . 65.43 112.297 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.77 -35.62 75.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 72.45 110.862 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.85 -15.61 29.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 73.12 111.096 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.8 -24.2 8.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 64.43 110.849 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -59.2 -18.42 36.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 54.12 110.851 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.06 -14.2 56.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 71.12 111.078 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.546 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.45 -57.52 8.45 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.633 0.73 . . . . 74.01 111.137 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.74 -14.22 35.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.623 2.215 . . . . 74.13 112.381 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.431 HD12 HG12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -84.3 -61.43 1.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 61.34 110.953 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 108' ' ' ALA . 12.9 tt -76.99 -21.91 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 72.23 111.154 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.99 -27.15 12.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.756 . . . . 74.3 112.493 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -61.07 -33.47 73.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.784 0.326 . . . . 72.33 110.879 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -85.34 -30.74 23.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.894 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 71.2 110.842 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -24.93 68.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 75.3 110.898 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -58.64 -62.01 2.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 64.02 110.875 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 123' ' ' VAL . 76.7 p -65.28 -36.03 82.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 63.33 111.138 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -35.39 62.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 43.51 110.914 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.59 -21.17 41.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.873 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -85.97 -27.25 25.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.943 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 119' ' ' THR . 94.7 t -55.02 -26.23 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 73.43 111.121 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.551 ' HG2' HD11 ' A' ' 127' ' ' ILE . 1.4 mt-10 -60.6 -19.96 59.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 43.13 110.896 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.0 m -52.05 -31.51 30.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.02 110.859 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -53.39 58.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 73.01 110.829 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.551 HD11 ' HG2' ' A' ' 124' ' ' GLU . 33.0 pt -75.86 -28.57 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 70.54 111.109 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -66.75 -43.61 83.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.35 110.875 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.997 HD12 HG23 ' A' ' 19' ' ' VAL . 20.1 mt -69.54 -57.34 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 70.24 111.137 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.548 ' O ' HG12 ' A' ' 133' ' ' VAL . 8.9 p -58.05 -22.48 50.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 70.42 111.123 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -18.59 48.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.43 . . . . 64.51 110.896 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -82.58 -21.13 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 74.22 110.928 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.65 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -74.4 -19.02 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 75.53 111.188 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -61.15 -23.3 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.24 111.153 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -52.84 -29.75 29.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 65.54 110.898 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.98 -42.95 9.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 53.22 111.134 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -53.91 -43.7 69.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 55.34 110.83 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 10.1 t-160 -61.41 -54.1 47.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 65.33 110.841 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -53.68 -72.77 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 74.23 110.84 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 55.21 110.854 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mtm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.807 0.337 . . . . 71.3 110.871 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -142.12 100.84 3.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 52.4 111.117 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -140.17 113.37 8.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.42 110.83 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.55 179.96 8.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 62.21 110.844 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.1 t-160 63.12 60.54 1.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.903 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.93 106.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 61.05 110.849 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 60.22 98.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 74.14 110.823 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.689 ' HB3' HD13 ' A' ' 12' ' ' ILE . 59.0 m-70 -73.47 106.88 5.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.838 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.506 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.59 -47.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 62.44 111.097 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.8 mmt -80.22 -44.53 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 70.21 110.88 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.29 -18.97 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 52.33 111.13 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.689 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.41 -28.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 71.45 111.127 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.77 -19.55 34.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 74.53 110.841 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -83.96 -41.48 17.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 65.21 110.808 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -53.12 -28.39 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 62.51 111.174 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 17' ' ' LYS . 1.1 tt -51.96 -48.6 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 65.31 110.921 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' N ' HD23 ' A' ' 16' ' ' LEU . 7.8 mttm -60.66 -29.29 69.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.12 110.899 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -38.6 90.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 65.14 110.888 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.54 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.11 -28.17 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 65.12 111.167 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.692 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.9 -18.95 45.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.55 110.876 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -73.17 -57.62 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.1 110.85 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -51.51 -41.1 60.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 75.1 110.909 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.692 HD12 ' HA ' ' A' ' 20' ' ' PHE . 66.5 mt -54.22 -34.77 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 62.31 111.123 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.7 t -81.02 -20.99 40.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.875 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -58.92 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 72.23 110.889 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 tt -83.61 -20.05 9.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 75.32 111.138 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.03 -26.18 71.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 61.11 112.464 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 51.6 m -91.93 -36.44 13.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.741 0.305 . . . . 61.45 111.146 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.53 -35.51 75.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 62.24 110.908 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.8 t -65.94 -17.99 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 62.4 110.852 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -69.57 -20.54 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 74.23 111.157 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.79 -55.53 3.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 64.11 110.898 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -22.64 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.42 111.088 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.681 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -75.64 -40.61 31.5 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 34.21 112.463 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.478 ' O ' HD23 ' A' ' 39' ' ' LEU . 7.3 mmm180 -88.53 -20.03 25.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.856 0.36 . . . . 70.31 110.862 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -80.53 -38.17 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.947 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.69 -47.4 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 64.41 111.123 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -57.54 -59.25 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 70.21 110.928 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.67 -33.7 34.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 64.15 110.949 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -39.87 86.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.468 . . . . 63.01 110.869 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -84.88 -41.92 15.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 63.13 110.883 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.4 -45.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.91 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.0 27.93 23.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.705 -0.759 . . . . 74.54 112.526 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.68 175.96 37.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 73.01 112.455 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.584 ' HA3' HG21 ' A' ' 102' ' ' ILE . . . 134.29 156.5 7.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 70.43 112.505 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.2 -62.19 5.92 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.782 -0.723 . . . . 34.24 112.477 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.39 147.19 47.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 65.53 112.464 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.38 -179.58 50.62 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 34.14 112.47 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -10.89 29.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 61.25 112.349 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.51 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -79.49 -26.64 41.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 63.24 110.867 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -65.03 -38.28 90.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 71.33 110.947 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.92 -30.46 71.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 73.34 110.865 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.541 ' HA ' HG12 ' A' ' 56' ' ' VAL . 48.3 t -88.71 -27.96 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 73.44 111.111 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 50' ' ' LEU . 44.2 t -80.9 -28.41 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 50.25 111.155 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -24.68 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 72.34 110.905 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.8 p -88.98 -28.09 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 75.31 111.129 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.3 mm -91.24 -25.94 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 73.02 111.153 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.31 -60.18 6.29 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.623 0.725 . . . . 72.05 110.908 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.724 ' HG3' HD13 ' A' ' 91' ' ' LEU . 54.0 Cg_endo -69.74 -33.83 15.86 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.695 2.263 . . . . 74.24 112.333 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.6 m -63.4 -30.32 71.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.883 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -56.57 -60.46 3.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 73.11 110.9 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -25.56 42.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.273 -0.421 . . . . 75.33 110.863 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.8 -24.78 33.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.859 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -36.04 81.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 60.3 110.875 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -75.26 -21.17 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 62.21 110.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.6 mt -67.39 -31.22 71.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 72.44 110.917 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 m -62.61 -21.16 65.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 42.45 111.136 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.46 -13.25 42.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 53.01 112.484 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.821 HD23 ' HD2' ' A' ' 80' ' ' LYS . 12.3 tp -91.08 -9.59 45.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 72.11 110.937 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.713 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.04 -31.68 4.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.138 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -97.86 1.15 47.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.871 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -123.08 -58.85 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 71.21 110.905 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 tp -113.62 74.03 2.23 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 75.54 110.891 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 129.08 16.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 72.54 112.33 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.1 p -108.94 -13.8 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.32 111.121 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -177.18 -179.31 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 74.24 110.837 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -59.6 -20.96 59.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 53.01 110.885 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -175.34 35.59 0.1 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 31.43 112.46 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -67.97 -47.04 69.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.931 0.396 . . . . 74.31 110.906 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.821 ' HD2' HD23 ' A' ' 69' ' ' LEU . 6.2 mmtp -81.02 -23.96 38.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 74.31 110.881 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.713 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.7 mtt -78.93 -48.85 13.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 62.44 110.875 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 t -55.27 -28.43 53.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 44.21 111.147 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.4 mm-40 -88.06 -19.95 26.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.97 -24.26 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.24 110.872 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -85.04 -36.96 20.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 62.43 110.863 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.1 t -62.15 -17.96 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 54.21 110.869 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' GLU . 15.8 t -72.14 -25.57 23.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 73.34 111.08 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.701 HD12 HG21 ' A' ' 123' ' ' VAL . 68.5 mt -85.97 -32.16 21.68 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 74.12 110.926 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -80.11 -33.94 38.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 75.41 110.88 179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.4 t -81.05 -19.93 42.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 75.13 110.868 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.724 HD13 ' HG3' ' A' ' 59' ' ' PRO . 2.0 tp -71.77 -46.68 57.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 40.42 110.892 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.0 t -53.63 -27.38 26.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.163 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.17 -30.35 59.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 73.31 110.891 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.63 -23.01 32.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 71.53 110.901 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -32.44 30.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.907 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -68.79 -33.88 74.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 64.5 110.902 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -12.06 61.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 73.44 110.856 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 tp -51.83 -23.35 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.098 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.31 -19.83 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 75.31 111.093 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -20.08 31.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 60.32 110.866 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.64 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.64 -55.01 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 74.45 110.89 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.64 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.9 mp -137.79 81.0 29.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.655 0.74 . . . . 72.32 111.122 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -2.19 9.76 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 74.45 112.348 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 t -68.83 -12.21 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 61.24 110.859 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.4 p -90.16 -14.18 34.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 62.22 111.167 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 56.3 m -49.58 -26.36 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 73.52 110.877 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 m -70.1 -43.35 71.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 63.22 110.845 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -85.5 -15.09 43.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 73.54 111.126 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.74 -57.03 9.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.599 0.714 . . . . 61.32 111.172 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.78 -13.63 34.89 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 42.23 112.371 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.22 -44.58 13.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 74.22 110.928 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.681 HD12 ' HA2' ' A' ' 34' ' ' GLY . 14.7 tt -89.09 -22.09 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.452 . . . . 72.05 111.098 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.82 12.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 74.12 112.486 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.8 tmmm? -59.76 -31.09 69.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.339 . . . . 75.13 110.897 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -85.42 -30.22 23.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.35 110.961 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.89 -65.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 64.32 110.839 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.7 -28.26 69.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 71.22 110.942 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -59.84 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.871 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.592 ' O ' HG23 ' A' ' 123' ' ' VAL . 2.9 m -63.42 -38.28 90.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.187 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -23.07 67.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 61.1 110.881 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -84.74 -35.13 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.43 110.873 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.14 -21.62 63.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 74.45 110.926 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.701 HG21 HD12 ' A' ' 88' ' ' LEU . 88.8 t -60.14 -25.11 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 74.44 111.12 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -61.46 -25.65 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.906 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -33.73 70.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 72.15 110.823 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.54 ' HA ' HG21 ' A' ' 19' ' ' VAL . 3.6 m -59.47 -40.42 86.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.872 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.0 mp -82.97 -32.08 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 74.21 111.104 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -42.94 99.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 72.44 110.869 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.523 HD12 HG23 ' A' ' 19' ' ' VAL . 59.6 mt -66.32 -43.52 91.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 51.1 111.127 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.17 -22.57 62.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 75.41 111.168 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.2 -18.4 48.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 62.41 110.876 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -84.66 -19.9 32.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 73.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.558 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.48 -25.56 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 71.51 111.135 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.3 tp -78.17 -22.81 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 75.22 111.143 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -83.56 -22.85 32.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.906 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -34.46 11.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 63.14 111.126 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -69.68 -45.74 67.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 60.03 110.852 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 -17.85 61.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.891 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.21 -33.8 14.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.868 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 6.5 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 72.12 110.84 -179.79 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.773 0.321 . . . . 62.55 110.887 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.97 157.86 36.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 73.42 111.093 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -156.76 45.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 52.44 110.865 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.07 119.58 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 74.33 110.885 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.08 155.73 0.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 72.53 110.896 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -76.36 166.39 23.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.871 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 60.91 99.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.878 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.697 ' HB3' HD13 ' A' ' 12' ' ' ILE . 20.2 m170 -57.71 106.23 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.55 110.874 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.77 -47.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.11 111.097 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -80.23 -44.57 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 75.35 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.27 -18.95 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.226 -0.443 . . . . 75.22 111.143 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.697 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.41 -28.49 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 71.33 111.128 179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -85.81 -26.33 25.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 74.02 110.861 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.4 -48.44 27.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 73.44 110.839 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.4 mt -56.14 -24.97 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.24 111.143 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 37.2 tp -53.7 -47.16 70.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 71.02 110.895 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -18.85 60.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 71.4 110.875 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.33 -38.87 49.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 61.51 110.864 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.697 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.07 -28.23 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 63.33 111.141 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.86 -18.94 45.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 74.02 110.905 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -70.75 -57.0 5.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 62.3 110.891 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -46.06 64.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 62.44 110.903 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.659 HD12 ' HA ' ' A' ' 20' ' ' PHE . 47.5 mt -51.91 -38.14 22.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.13 111.151 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.01 -23.91 38.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 72.43 110.884 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -59.04 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.901 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.537 HD11 HG23 ' A' ' 119' ' ' THR . 1.7 pt -85.98 -20.07 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 52.53 111.101 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.32 -34.52 89.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.7 -0.762 . . . . 64.44 112.47 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.6 t -92.02 -29.09 16.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 74.24 111.133 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.63 -17.98 64.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.926 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 t -80.52 -17.96 49.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 63.1 110.86 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.75 -20.48 27.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 74.43 111.117 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -86.15 -59.26 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.33 110.884 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.74 -22.4 35.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 73.05 111.154 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.17 -39.42 27.17 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 35.23 112.445 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.445 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.15 -23.84 23.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.79 0.329 . . . . 72.11 110.849 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.3 mp -76.28 -39.35 54.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 72.22 110.985 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.504 HG23 ' HG ' ' A' ' 111' ' ' LEU . 1.4 mp -75.47 -40.85 42.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 73.23 111.179 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -62.77 -59.09 5.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.25 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.5 mm? -50.41 -33.03 19.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.13 110.928 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -41.07 97.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 71.24 110.882 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -78.7 -41.49 30.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 74.23 110.917 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -179.52 -34.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.12 110.883 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.96 22.21 40.98 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 42.21 112.476 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.15 -142.54 5.07 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.76 -0.733 . . . . 64.24 112.489 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 78.54 106.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 71.1 112.48 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.14 -134.22 36.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 64.05 112.465 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.24 172.18 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 65.4 112.513 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.03 -164.94 25.82 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 45.32 112.51 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -9.84 27.07 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.683 2.255 . . . . 74.11 112.353 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.0 mt -74.16 -29.39 61.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 75.22 110.894 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.47 ' OH ' HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -73.13 -34.43 66.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.12 110.923 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -61.13 -39.96 91.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 71.33 110.88 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.52 -26.38 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 72.13 111.102 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.28 -31.75 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 42.34 111.129 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.25 -24.64 22.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 51.25 110.9 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.1 t -85.99 -45.24 16.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.45 111.152 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mm -74.77 -22.63 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.05 111.102 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mm-40 -51.96 -60.63 5.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.609 0.719 . . . . 72.24 110.898 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.701 ' HG3' HD13 ' A' ' 91' ' ' LEU . 54.1 Cg_endo -69.78 -25.17 28.8 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 55.2 112.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -30.87 71.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 50.52 110.882 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.27 -59.42 4.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 71.21 110.919 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.83 -25.38 41.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.91 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.403 ' HE1' ' HG ' ' A' ' 84' ' ' SER . 0.2 OUTLIER -83.67 -24.78 31.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.852 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.5 m -53.05 -38.17 62.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 73.5 110.853 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -78.62 -23.13 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.084 -0.507 . . . . 71.31 110.89 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 80.6 mt -69.0 -33.7 74.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 72.03 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -62.67 -20.11 64.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.43 111.148 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.01 -13.62 39.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 63.44 112.488 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.762 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.3 tp -91.05 -8.62 48.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 50.41 110.891 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -95.07 -31.88 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.03 111.112 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -97.83 1.06 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.889 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -118.77 -60.07 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 54.44 110.962 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.1 mt -141.64 74.78 22.78 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 65.12 110.904 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 129.43 17.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 74.01 112.329 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 94.7 m -58.31 -21.78 50.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.12 111.157 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -176.72 -172.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 61.21 110.899 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.52 -17.21 59.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 71.52 110.837 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -168.12 30.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 71.13 112.483 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -84.82 -44.47 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.947 0.404 . . . . 61.5 110.939 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.762 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -81.0 -32.93 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 63.12 110.902 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.558 ' SD ' HG22 ' A' ' 127' ' ' ILE . 12.8 mtt -70.07 -51.55 31.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.906 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.4 t -54.32 -28.68 44.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 62.44 111.132 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 87' ' ' VAL . 6.1 mm-40 -83.52 -26.17 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 71.35 110.898 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.403 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -85.02 -25.89 27.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.843 -179.788 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -84.99 -36.7 21.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 62.45 110.91 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.16 -17.95 59.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 72.43 110.889 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 83' ' ' GLU . 21.9 t -71.01 -27.29 29.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 71.23 111.137 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.4 mt -86.03 -36.01 19.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -77.96 -35.36 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 64.42 110.916 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -80.66 -19.94 44.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.817 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.701 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.9 tp -72.25 -47.48 49.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 63.5 110.933 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.7 t -53.42 -27.57 25.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 63.45 111.086 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -30.97 62.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 75.11 110.887 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 -22.93 32.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 75.11 110.889 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.1 tp -82.47 -45.79 14.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 72.24 110.91 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -60.67 -27.28 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 61.35 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -12.45 61.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 74.44 110.859 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.47 HD13 ' OH ' ' A' ' 51' ' ' TYR . 1.7 tp -51.84 -23.94 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 74.15 111.101 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 6.3 p -57.58 -19.81 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 71.53 111.149 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 -19.87 31.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.888 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.639 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.63 -55.28 2.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.907 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.639 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.93 80.79 29.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.594 0.712 . . . . 61.51 111.143 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -3.21 11.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.647 2.231 . . . . 63.25 112.382 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.8 t -69.53 -35.44 75.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 70.14 110.864 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.64 -15.6 30.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 71.42 111.147 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -53.16 -23.75 9.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 75.25 110.865 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.19 -18.36 35.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.844 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.513 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.94 -14.29 56.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 73.41 111.089 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.538 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.46 -57.49 8.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.65 0.738 . . . . 61.43 111.171 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.81 -14.07 35.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.662 2.241 . . . . 75.02 112.339 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.36 -61.36 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 64.31 110.888 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 108' ' ' ALA . 7.8 tt -77.25 -21.99 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 74.15 111.104 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.06 -26.97 12.81 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 75.32 112.489 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -60.26 -31.8 70.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 74.21 110.906 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -85.39 -34.45 21.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 74.22 110.894 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.91 -65.19 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 73.11 110.912 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.59 -25.01 64.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 72.13 110.893 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -62.02 2.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.867 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.72 ' O ' HG23 ' A' ' 123' ' ' VAL . 7.3 m -66.71 -38.29 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 71.53 111.17 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -54.02 -29.19 42.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 51.51 110.89 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -85.55 -25.44 26.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 73.31 110.91 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.07 -23.37 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 74.45 110.926 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.72 HG23 ' O ' ' A' ' 119' ' ' THR . 94.9 t -57.65 -23.08 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 75.41 111.138 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.574 ' HG2' HD11 ' A' ' 127' ' ' ILE . 1.6 mt-10 -66.68 -19.98 65.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 72.43 110.89 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -20.6 65.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 65.01 110.868 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.697 ' HA ' HG21 ' A' ' 19' ' ' VAL . 1.2 p -80.23 -37.71 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 61.03 110.822 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.574 HD11 ' HG2' ' A' ' 124' ' ' GLU . 46.6 pt -84.04 -26.41 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 72.45 111.102 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -76.55 -20.82 56.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 70.54 110.932 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.653 HD12 HG23 ' A' ' 19' ' ' VAL . 26.1 mt -85.07 -42.66 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 71.53 111.122 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.548 ' O ' HG12 ' A' ' 133' ' ' VAL . 39.4 p -79.19 -22.53 44.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 61.32 111.158 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.07 -18.62 48.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 60.55 110.892 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -83.16 -20.53 34.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 74.11 110.905 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.5 OUTLIER -74.31 -19.38 17.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 73.01 111.142 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -64.57 -23.03 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 74.12 111.172 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -52.2 -30.48 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 52.03 110.854 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.61 -38.14 10.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 72.42 111.207 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -45.07 93.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 74.33 110.843 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -56.56 -39.99 74.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 71.3 110.835 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.1 mtt-85 -64.88 -67.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 75.24 110.88 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 62.11 110.868 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 mtp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.788 0.328 . . . . 73.14 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.63 152.49 19.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 73.13 111.106 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -173.25 139.63 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 74.15 110.84 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -98.39 85.26 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 70.32 110.87 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -160.82 168.88 23.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 60.22 110.892 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -53.08 114.57 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 60.5 110.855 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -126.39 -169.91 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 72.21 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.712 ' HB3' HD13 ' A' ' 12' ' ' ILE . 34.6 m-70 63.56 105.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 41.42 110.836 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.4 -50.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 61.44 111.099 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.409 ' HA ' ' HE3' ' A' ' 10' ' ' MET . 8.0 mmm -78.27 -43.77 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 41.24 110.865 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.3 m -90.29 -19.19 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 71.11 111.098 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.712 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.3 -28.37 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 73.23 111.144 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -80.51 -24.31 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 70.42 110.865 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -74.95 -43.02 56.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 54.23 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.17 -25.05 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 65.32 111.103 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.89 -53.14 44.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 65.35 110.944 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -61.65 -18.86 61.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 73.14 110.88 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.48 -38.68 48.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.5 110.858 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.613 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.09 -28.2 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 44.43 111.091 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.44 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.92 -18.9 45.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 70.0 110.898 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.32 -56.98 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 55.43 110.87 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -36.38 80.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.891 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 20' ' ' PHE . 25.2 mt -51.73 -33.24 15.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 71.33 111.092 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.04 -30.24 34.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 33.31 110.86 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -59.06 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 53.44 110.879 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.499 HD13 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -57.08 -23.79 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 71.53 111.123 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.749 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -83.99 -55.97 2.68 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.691 -0.766 . . . . 74.42 112.504 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.5 p -52.03 -34.64 44.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.702 0.287 . . . . 72.2 111.137 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.71 -34.62 74.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.41 110.866 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.7 t -82.0 -22.87 36.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 75.0 110.815 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 27' ' ' GLY . 57.6 t -68.22 -20.59 25.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.179 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -86.17 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 71.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.07 -21.55 32.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 65.0 111.097 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.611 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -78.93 -38.55 22.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 74.13 112.516 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.35 -23.86 23.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 74.14 110.869 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.0 -39.77 49.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 64.44 110.884 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.582 HG22 ' HB1' ' A' ' 108' ' ' ALA . 1.4 mp -73.55 -40.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 73.1 111.131 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.69 -59.02 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.921 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mp -50.46 -35.82 30.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.12 110.921 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -38.94 73.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 70.33 110.852 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.557 ' HG3' ' HB2' ' A' ' 108' ' ' ALA . 40.7 mm-40 -64.87 -38.66 91.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 63.22 110.927 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -179.51 -41.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 62.42 110.89 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 52.13 27.43 22.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.695 -0.764 . . . . 43.44 112.515 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -127.66 -171.57 13.06 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.761 -0.733 . . . . 52.14 112.501 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 113.63 -146.8 18.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 65.54 112.531 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.87 -116.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 72.31 112.51 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.19 159.0 2.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 25.33 112.452 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.94 -165.43 29.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 71.53 112.534 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -9.69 26.71 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.719 2.28 . . . . 54.3 112.286 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.9 mt -74.48 -31.01 62.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 65.32 110.929 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.626 ' HE2' HD12 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -76.84 -29.37 55.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 71.34 110.95 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -67.83 -36.38 80.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 73.34 110.876 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.07 -26.32 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 75.1 111.126 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.7 -31.51 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 62.23 111.131 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.17 -24.7 22.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 63.13 110.905 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.651 ' HA ' HD11 ' A' ' 91' ' ' LEU . 6.9 t -86.1 -45.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 73.22 111.112 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.4 mm -74.64 -22.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 71.1 111.127 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.93 -60.74 5.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.632 0.73 . . . . 53.11 110.918 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.716 ' CG ' HD13 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.75 -24.97 29.14 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.714 2.276 . . . . 74.33 112.37 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -30.31 70.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 74.25 110.938 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -56.65 -59.76 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 73.35 110.885 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -25.34 40.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 64.31 110.913 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.71 -24.74 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.52 110.852 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.95 -38.98 65.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 65.35 110.85 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -65.06 -25.62 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 62.25 110.842 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 52.9 mt -68.95 -34.21 74.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 51.41 110.92 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -62.64 -20.49 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 61.32 111.169 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.97 -13.77 38.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 63.42 112.519 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.758 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.1 tp -91.08 -9.2 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 75.43 110.907 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.429 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.12 -31.85 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 74.04 111.099 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -97.31 1.11 49.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.31 110.872 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -119.0 -60.58 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 71.32 110.921 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 tt -141.55 74.7 23.16 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.607 0.718 . . . . 61.24 110.899 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 129.47 17.65 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.676 2.25 . . . . 62.4 112.335 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 100.0 m -57.58 -22.79 47.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 51.4 111.12 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -176.41 -172.44 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 74.25 110.869 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.6 p -62.46 -17.24 59.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.893 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.81 30.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 64.21 112.466 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -84.75 -44.35 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 54.52 110.903 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.758 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -81.04 -34.19 32.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 61.05 110.853 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.429 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.4 mtt -68.69 -51.87 37.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 51.21 110.89 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 t -54.06 -28.67 40.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 75.34 111.146 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 87' ' ' VAL . 10.1 tt0 -80.92 -28.1 35.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 54.02 110.907 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 p -84.97 -26.11 27.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.44 110.91 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.679 ' HG3' HG11 ' A' ' 123' ' ' VAL . 1.0 OUTLIER -84.98 -33.37 22.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 73.55 110.914 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.14 -18.02 59.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.852 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 83' ' ' GLU . 5.6 t -86.52 -23.0 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 72.54 111.15 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.686 ' CD1' HG21 ' A' ' 123' ' ' VAL . 30.9 mt -69.37 -36.29 76.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.92 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.479 ' O ' HG22 ' A' ' 92' ' ' THR . 0.2 OUTLIER -79.69 -34.15 40.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 42.31 110.914 179.834 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -19.96 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 65.21 110.883 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.716 HD13 ' CG ' ' A' ' 59' ' ' PRO . 1.8 tp -70.16 -46.05 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 72.34 110.893 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.0 t -53.53 -27.02 23.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 60.12 111.136 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -26.32 36.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 72.44 110.919 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -28.65 56.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 53.41 110.886 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.541 HD11 ' CE1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -83.11 -36.08 25.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.927 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -57.53 -23.03 48.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 63.42 110.909 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -12.46 61.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 63.25 110.9 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.626 HD12 ' HE2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -51.49 -24.46 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 44.54 111.102 179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.4 p -57.74 -19.42 11.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 73.14 111.15 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 53.8 tt0 -85.3 -20.1 30.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 74.05 110.903 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.655 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.8 -55.31 2.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 61.54 110.935 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.655 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.9 mp -137.85 81.68 27.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.658 0.742 . . . . 75.44 111.178 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -2.83 10.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 62.32 112.323 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 12.2 t -69.15 -11.74 61.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 64.42 110.887 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.8 p -80.12 -14.03 58.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 64.34 111.185 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 t -49.36 -26.58 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 60.24 110.818 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.1 -43.43 71.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.859 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.582 ' HB1' HG22 ' A' ' 37' ' ' ILE . . . -85.5 -14.98 44.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 73.41 111.129 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.64 -56.92 9.94 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 65.14 111.155 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.7 Cg_endo -69.77 -14.32 35.9 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.71 2.273 . . . . 62.53 112.356 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -43.41 14.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 51.3 110.914 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.611 HD12 ' HA2' ' A' ' 34' ' ' GLY . 12.4 tt -89.11 -21.98 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.42 111.089 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.34 -27.83 12.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 63.12 112.438 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -62.07 -36.62 82.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 64.32 110.884 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.45 -33.03 21.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 64.43 110.92 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.7 mtp -51.89 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 64.43 110.914 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -60.25 -26.98 66.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 73.2 110.916 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -47.55 68.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.2 110.918 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.437 ' O ' HG23 ' A' ' 123' ' ' VAL . 31.9 m -57.91 -55.23 37.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 72.13 111.144 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -51.94 -43.85 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.932 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.62 -41.73 83.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 65.11 110.864 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.499 ' CE2' HD13 ' A' ' 26' ' ' ILE . 24.4 t80 -58.8 -23.81 60.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.01 110.909 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.686 HG21 ' CD1' ' A' ' 88' ' ' LEU . 97.0 t -57.71 -23.0 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.13 111.17 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.693 ' CG ' HD11 ' A' ' 127' ' ' ILE . 4.4 tt0 -59.26 -21.67 59.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 41.23 110.87 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.5 p -54.88 -30.11 57.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 75.54 110.834 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -56.55 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.43 110.837 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.693 HD11 ' CG ' ' A' ' 124' ' ' GLU . 42.8 pt -64.74 -26.7 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 70.1 111.143 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.7 tttt -72.19 -48.68 41.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.876 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.613 HD12 HG23 ' A' ' 19' ' ' VAL . 22.3 mt -63.72 -42.05 94.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.14 111.145 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 5.4 p -69.34 -22.56 63.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 55.41 111.143 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -60.24 -18.34 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 73.33 110.884 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -84.68 -19.84 32.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.909 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.51 -25.61 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 75.12 111.138 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.3 tp -78.08 -22.87 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 63.34 111.121 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.53 -22.97 32.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 63.12 110.885 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.09 -34.33 11.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 52.12 111.134 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -69.79 -45.66 67.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.855 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -17.98 61.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 63.23 110.815 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.15 -33.83 14.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 72.43 110.888 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 72.21 110.884 -179.806 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mmt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.755 0.312 . . . . 54.22 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.29 133.92 46.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 71.42 111.106 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.97 162.28 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 64.11 110.822 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -91.8 -64.2 1.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 73.2 110.837 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -60.39 129.8 43.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 62.13 110.834 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 t-160 55.95 65.43 1.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.918 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -54.53 117.16 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.849 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.697 ' HB3' HD13 ' A' ' 12' ' ' ILE . 39.4 m-70 63.56 105.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 73.41 110.823 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -172.29 -47.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 51.24 111.068 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 33.2 mmt -80.3 -44.5 19.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 75.12 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.4 m -90.24 -19.03 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 75.42 111.11 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.697 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.4 OUTLIER -83.38 -28.52 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.21 111.113 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.22 -20.49 60.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 63.51 110.857 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.1 -48.16 10.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 73.55 110.828 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.4 mt -56.17 -24.94 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 75.15 111.13 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -52.72 -50.72 62.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 53.12 110.972 179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.602 ' N ' HD23 ' A' ' 16' ' ' LEU . 10.5 mttt -61.26 -18.87 60.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 42.05 110.898 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.6 t -76.72 -39.4 52.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.862 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.95 HG23 HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -88.12 -28.13 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 72.45 111.098 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.72 -18.98 46.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.918 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -70.06 -43.04 72.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 72.1 110.888 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.1 mmpt? -51.53 -46.07 63.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.893 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mp -52.48 -38.15 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 72.55 111.192 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.3 m -81.0 -22.11 39.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 73.52 110.892 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -58.99 3.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 71.25 110.89 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.8 tt -82.82 -19.96 9.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.117 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.2 -20.53 79.96 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.711 -0.757 . . . . 50.32 112.472 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 m -76.66 -40.41 49.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.781 0.324 . . . . 54.41 111.148 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.82 -23.95 65.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 73.13 110.893 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 p -73.27 -21.85 60.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 63.23 110.853 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 t -68.73 -20.47 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 65.25 111.092 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -59.16 2.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 73.33 110.881 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.6 -22.57 34.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 61.01 111.129 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.748 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -76.73 -39.61 28.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.728 -0.749 . . . . 32.52 112.501 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.474 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.22 -22.96 23.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 71.13 110.896 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -77.16 -38.88 50.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 65.05 110.971 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.937 HG23 HD13 ' A' ' 111' ' ' LEU . 1.4 mp -76.61 -41.68 34.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.31 111.127 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -61.61 -57.69 11.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.871 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.6 mm? -49.42 -31.02 8.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 64.43 110.918 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 t -64.32 -51.62 62.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.15 110.88 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.536 ' NE2' HD12 ' A' ' 111' ' ' LEU . 21.8 mt-30 -74.41 -56.63 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 64.43 110.902 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.45 52.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.859 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -81.53 -16.78 72.63 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 62.01 112.51 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -102.84 79.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.699 -0.762 . . . . 53.01 112.487 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.74 -112.5 1.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.78 -0.724 . . . . 45.34 112.528 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.19 -94.37 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 53.53 112.482 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.92 -178.98 14.98 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 73.43 112.533 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.74 -177.96 18.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 63.32 112.468 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -10.84 29.5 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 74.22 112.319 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.521 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.46 -24.71 39.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 74.25 110.934 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.4 ' HE2' HD13 ' A' ' 98' ' ' ILE . 1.4 t80 -65.83 -37.66 86.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 65.23 110.95 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CD2' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -64.14 -49.04 73.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 71.03 110.87 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.487 HG23 ' CD2' ' A' ' 52' ' ' PHE . 57.0 t -72.41 -31.42 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 74.41 111.112 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.1 t -73.92 -34.6 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 71.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.16 -24.31 26.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 71.2 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.5 t -86.45 -44.5 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 70.54 111.167 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.7 mm -74.91 -23.56 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 64.03 111.155 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.487 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.4 mm-40 -51.59 -60.7 5.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.672 0.748 . . . . 74.24 110.915 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.4 Cg_endo -69.75 -23.64 30.59 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.616 2.211 . . . . 74.4 112.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -32.76 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 52.43 110.864 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -54.4 -60.47 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 75.21 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -56.02 -25.11 43.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.908 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -82.56 -24.72 33.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 65.03 110.826 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 65.3 m -52.91 -29.11 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 72.14 110.866 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -57.02 -24.14 51.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 72.13 110.884 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.574 HD22 ' HD3' ' A' ' 80' ' ' LYS . 7.7 mt -74.38 -47.85 31.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 74.3 110.943 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.0 p -66.34 -13.46 60.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 71.41 111.143 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.84 -14.1 32.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.725 -0.75 . . . . 42.12 112.472 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -17.26 26.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.858 0.361 . . . . 74.54 110.897 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.698 HG21 ' HG2' ' A' ' 81' ' ' MET . 3.1 t -94.64 -31.89 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 71.55 111.145 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.561 ' CB ' HD12 ' A' ' 16' ' ' LEU . 21.9 m-85 -91.33 1.06 57.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 61.32 110.862 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -105.8 -66.02 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.951 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.1 tp -150.72 71.99 8.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 73.05 110.948 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 129.25 17.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.661 2.241 . . . . 72.51 112.336 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -112.43 43.68 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 63.02 111.142 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.81 166.45 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 64.4 110.899 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.6 m -65.9 -14.36 61.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.855 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.21 43.08 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.752 . . . . 71.43 112.47 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.93 -60.7 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 74.34 110.897 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.574 ' HD3' HD22 ' A' ' 66' ' ' LEU . 0.5 OUTLIER -81.16 -20.03 42.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.888 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.698 ' HG2' HG21 ' A' ' 70' ' ' VAL . 12.6 mtt -68.57 -54.41 16.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 73.42 110.891 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.2 t -54.02 -31.56 51.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 71.11 111.156 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.494 ' O ' HG23 ' A' ' 87' ' ' VAL . 2.3 mt-10 -88.03 -20.02 26.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.931 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.486 ' HA ' HD12 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -84.21 -21.02 31.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 74.35 110.883 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -77.93 -53.29 7.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 60.41 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.9 m -62.1 -17.96 59.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 61.42 110.871 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 63' ' ' PHE . 3.4 t -76.13 -31.6 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 70.4 111.108 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.96 -33.68 72.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 52.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -27.85 28.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 65.1 110.887 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.2 t -87.17 -19.8 27.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 75.31 110.861 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 -42.1 62.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 52.05 110.893 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.9 t -58.3 -22.07 51.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 71.33 111.116 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.51 -38.99 56.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 75.41 110.899 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.24 -33.26 69.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 65.1 110.883 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 tp -83.41 -47.2 11.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.909 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.64 -24.99 59.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 71.33 110.921 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -12.6 61.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.918 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.4 HD13 ' HE2' ' A' ' 51' ' ' TYR . 3.5 tp -51.77 -23.78 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 70.13 111.108 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.22 -20.17 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 64.22 111.106 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.41 -19.48 33.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.852 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.628 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.54 -55.05 2.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 64.04 110.94 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.628 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.78 79.84 32.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.643 0.735 . . . . 64.24 111.155 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -2.89 10.96 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 65.02 112.365 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 p -69.51 -35.63 75.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 71.32 110.862 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.4 p -90.93 -15.55 29.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 42.11 111.126 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 t -53.32 -23.79 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 53.12 110.836 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -59.16 -18.58 37.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 73.33 110.852 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.2 -14.03 56.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 61.41 111.107 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.549 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.42 8.61 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.632 0.73 . . . . 54.13 111.125 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.4 Cg_endo -69.76 -14.24 35.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 71.01 112.328 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.937 HD13 HG23 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -84.45 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 64.24 110.901 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.748 HD12 ' HA2' ' A' ' 34' ' ' GLY . 12.8 tt -76.9 -21.95 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 72.15 111.104 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.13 -26.59 12.7 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 63.21 112.439 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -59.57 -29.84 68.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.771 0.32 . . . . 71.31 110.868 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -85.29 -35.31 21.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 75.22 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -51.89 -65.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.21 110.841 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.13 -25.53 63.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 73.21 110.918 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.23 -61.64 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.882 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 90.7 m -67.52 -37.14 82.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 70.44 111.17 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -57.06 -25.8 59.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 71.04 110.933 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -81.91 -20.92 37.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 62.22 110.887 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -84.11 -21.06 31.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 70.44 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.0 -27.38 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 74.03 111.103 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.427 ' HG2' HD11 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -60.62 -19.98 59.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.22 110.869 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.2 t -60.72 -24.61 65.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.845 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.492 ' HA ' HG21 ' A' ' 19' ' ' VAL . 15.4 m -72.59 -56.51 5.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 62.42 110.834 -179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.427 HD11 ' HG2' ' A' ' 124' ' ' GLU . 21.0 pt -60.78 -24.02 31.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 64.43 111.149 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -50.33 49.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 73.43 110.875 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.95 HD12 HG23 ' A' ' 19' ' ' VAL . 33.8 mt -65.97 -43.0 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 71.32 111.164 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 73.3 p -71.33 -22.52 61.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 62.51 111.145 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -18.35 48.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 75.42 110.875 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -84.77 -19.85 31.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 52.21 110.9 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.66 -25.73 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 72.2 111.153 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.58 -22.85 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 72.22 111.167 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -82.52 -25.49 33.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 54.52 110.899 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.02 -44.04 7.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 53.1 111.147 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -60.39 -40.14 89.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 34.12 110.84 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -63.92 -43.37 96.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 71.24 110.854 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 11.9 mtt-85 -52.03 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 71.22 110.875 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 71.41 110.852 -179.803 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.762 0.315 . . . . 62.12 110.867 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.64 -59.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 41.45 111.109 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.75 -67.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 75.21 110.852 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -177.95 147.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -139.62 -176.49 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 72.11 110.908 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -70.46 153.02 43.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 75.42 110.856 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 62.16 168.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 71.32 110.823 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.38 106.19 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 73.31 110.902 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.518 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.66 -47.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 52.34 111.119 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.9 mmt -80.16 -44.58 19.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 61.53 110.891 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 t -90.25 -18.97 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 74.32 111.191 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.518 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.39 -28.52 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 64.42 111.159 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -76.62 -21.12 55.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 63.54 110.848 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -78.18 -22.11 49.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 73.11 110.794 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.514 HG22 ' CD1' ' A' ' 129' ' ' ILE . 6.0 mm -77.56 -24.95 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 70.31 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -42.43 62.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.906 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -53.0 -33.27 50.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.933 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.1 t -66.47 -32.29 73.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 54.51 110.91 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.3 t -88.13 -32.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 73.34 111.13 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.67 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.63 -18.92 46.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 65.43 110.86 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.58 -45.24 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 51.5 110.903 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -44.83 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 54.4 110.882 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 20' ' ' PHE . 39.3 mt -51.76 -43.0 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 75.22 111.121 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.1 m -81.1 -20.98 40.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 62.44 110.831 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -68.67 -59.06 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.878 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -86.07 -20.0 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 74.21 111.114 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.741 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -76.11 -52.37 6.29 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 42.34 112.487 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.5 m -51.95 -48.9 64.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.789 0.328 . . . . 71.05 111.17 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.88 -23.2 65.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 74.31 110.872 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 t -82.0 -28.35 32.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 71.42 110.892 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.741 HG23 ' O ' ' A' ' 27' ' ' GLY . 40.5 t -68.29 -20.47 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.083 -0.508 . . . . 70.54 111.134 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -86.65 -56.62 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.44 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.3 -23.12 34.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.116 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' CA ' HD12 ' A' ' 112' ' ' ILE . . . -73.82 -40.81 43.83 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 50.1 112.494 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.489 ' O ' HD23 ' A' ' 39' ' ' LEU . 26.0 mmm-85 -88.73 -22.38 23.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 71.31 110.891 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -78.17 -36.09 47.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.436 HG21 ' HB3' ' A' ' 111' ' ' LEU . 1.0 OUTLIER -72.86 -39.57 59.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 54.24 111.152 179.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.67 -45.74 61.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.3 110.888 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -51.5 -37.2 47.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 64.22 110.895 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.12 -45.38 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 63.41 110.87 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -51.98 -43.71 63.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.937 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -179.45 -35.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.885 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 55.22 23.64 33.87 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 62.12 112.449 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.78 -157.93 13.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.689 -0.767 . . . . 50.44 112.469 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.16 169.82 18.24 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 74.12 112.481 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.16 -88.83 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.748 . . . . 71.23 112.479 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.83 159.4 3.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 61.14 112.479 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.83 -179.68 38.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 70.11 112.505 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -10.76 29.35 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.667 2.245 . . . . 71.2 112.34 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.508 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.39 -29.86 37.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 62.32 110.922 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -39.31 86.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 73.2 110.924 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -31.13 72.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 73.4 110.837 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.519 ' HA ' HG12 ' A' ' 56' ' ' VAL . 47.7 t -88.16 -28.39 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 72.41 111.115 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 50' ' ' LEU . 38.6 t -80.93 -28.21 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 74.34 111.124 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -88.78 -24.72 22.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 62.41 110.84 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 53' ' ' VAL . 4.9 p -89.0 -28.09 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.168 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.1 mm -91.19 -25.93 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.12 111.135 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.1 mt-10 -51.25 -60.22 6.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.673 0.749 . . . . 74.43 110.879 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.761 ' HG2' HD22 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.8 -33.79 15.75 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.7 2.267 . . . . 71.2 112.316 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 m -63.68 -29.89 71.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 74.03 110.845 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.88 -59.24 5.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 72.5 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -25.77 41.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 73.04 110.894 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.69 -24.83 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 72.32 110.909 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.04 -38.61 65.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 62.22 110.878 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -78.04 -23.82 48.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 62.04 110.855 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.79 -33.34 74.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 74.32 110.918 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.43 HG21 ' CE2' ' A' ' 20' ' ' PHE . 8.1 m -62.66 -19.95 64.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 71.04 111.075 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.05 -13.62 38.99 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 35.21 112.449 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.746 HD23 ' HD2' ' A' ' 80' ' ' LYS . 11.4 tp -91.1 -7.94 50.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.359 . . . . 63.24 110.91 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -94.92 -31.77 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 52.54 111.165 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -98.59 1.11 46.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 74.12 110.866 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -118.51 -59.55 1.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 54.33 110.894 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 37.2 tp -141.73 75.01 22.22 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.651 0.738 . . . . 65.42 110.906 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 129.34 17.41 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 42.24 112.344 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 35.0 m -60.55 -19.01 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 33.11 111.147 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.78 -171.8 0.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 72.52 110.806 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 95.2 p -64.58 -15.67 61.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.461 . . . . 72.23 110.834 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -170.1 31.48 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 74.43 112.489 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -85.5 -45.71 11.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 71.23 110.865 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.746 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.8 OUTLIER -78.64 -32.48 47.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 72.14 110.868 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.417 ' HG2' HG21 ' A' ' 70' ' ' VAL . 14.7 mtt -71.15 -53.68 13.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 73.24 110.842 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.0 t -53.82 -28.02 33.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 44.15 111.193 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.3 tt0 -83.08 -28.34 29.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.904 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.01 -20.98 29.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 45.31 110.881 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -84.68 -38.73 19.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.881 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -18.02 59.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.865 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 83' ' ' GLU . 6.2 t -71.62 -31.1 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.31 111.173 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.97 -34.46 20.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 73.53 110.911 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 92' ' ' THR . 33.8 mtpt -76.34 -36.52 58.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 74.43 110.867 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.0 t -81.01 -19.88 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 54.2 110.846 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.761 HD22 ' HG2' ' A' ' 59' ' ' PRO . 2.0 tp -74.8 -48.13 27.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 73.5 110.879 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.4 t -53.71 -27.45 28.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 72.02 111.134 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.34 -33.14 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 71.34 110.895 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.3 mmpp? -83.57 -22.95 32.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 73.31 110.908 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.9 tp -81.58 -38.04 26.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 62.35 110.914 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -70.69 -26.09 63.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 71.52 110.875 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -10.32 59.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.869 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.7 tp -50.19 -25.05 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.51 111.13 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.22 -19.9 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 72.31 111.137 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -83.92 -20.24 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.3 110.905 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.633 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.74 -54.95 2.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 74.43 110.916 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.633 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.82 80.99 29.37 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.65 0.738 . . . . 71.22 111.158 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -3.42 11.93 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.661 2.241 . . . . 65.55 112.388 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.56 -35.8 75.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.53 110.839 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.9 p -91.1 -15.62 29.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 71.31 111.149 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 31.4 t -56.93 -20.59 24.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.832 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 m -59.11 -18.45 35.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 74.22 110.852 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.06 -14.13 56.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 63.34 111.095 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.546 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.42 -57.46 8.54 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.666 0.746 . . . . 74.11 111.153 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.546 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.2 Cg_endo -69.8 -14.17 35.58 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 62.32 112.319 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.436 ' HB3' HG21 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -84.44 -61.3 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.893 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 108' ' ' ALA . 5.8 tt -76.79 -21.95 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 52.11 111.151 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -49.88 -28.74 12.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 62.12 112.504 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -64.34 -39.18 93.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.756 0.312 . . . . 75.15 110.866 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -85.13 -22.5 28.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 72.14 110.908 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -65.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 73.41 110.832 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.75 -26.4 67.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 55.21 110.928 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.91 -60.13 3.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.856 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.558 ' O ' HG23 ' A' ' 123' ' ' VAL . 53.0 m -70.28 -38.66 75.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 72.32 111.12 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -27.1 36.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.935 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.48 -27.79 29.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.892 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.57 -21.68 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 64.25 110.839 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 119' ' ' THR . 53.2 t -55.99 -28.15 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 50.1 111.157 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.609 ' O ' HD12 ' A' ' 127' ' ' ILE . 3.5 mt-10 -66.26 -20.87 66.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.936 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 57.9 m -56.01 -25.76 45.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 55.03 110.796 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -33.75 67.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 70.23 110.837 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 124' ' ' GLU . 2.3 mp -83.43 -24.01 8.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 54.14 111.153 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -52.17 -39.84 60.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.93 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.514 ' CD1' HG22 ' A' ' 15' ' ' ILE . 21.2 mt -66.7 -58.06 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 72.33 111.076 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.0 -22.52 49.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 72.2 111.14 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.625 ' O ' HG22 ' A' ' 134' ' ' ILE . 0.2 OUTLIER -59.92 -18.71 47.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.864 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -84.84 -33.43 22.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 73.32 110.873 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.09 -21.37 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 74.34 111.131 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 131' ' ' GLU . 1.1 tt -52.94 -28.04 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.091 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.73 -36.07 24.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.889 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.26 -42.52 8.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 72.13 111.128 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -55.55 -53.78 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 62.41 110.842 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -53.58 -53.49 50.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.843 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -74.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 64.02 110.905 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 61.01 110.882 -179.834 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.804 0.335 . . . . 74.31 110.898 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.69 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 64.22 111.13 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -101.42 76.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 62.44 110.862 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.62 117.44 28.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 54.41 110.852 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -120.8 27.43 8.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 73.44 110.861 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.59 -55.84 2.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 71.54 110.841 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -96.61 161.03 14.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 70.13 110.879 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.35 106.22 6.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 73.41 110.805 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.513 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -171.52 -47.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 55.45 111.147 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 11.1 mmt -80.24 -44.6 19.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 61.13 110.869 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.6 m -90.2 -19.01 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 73.31 111.163 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.513 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.43 -28.49 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 61.2 111.137 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -84.9 -20.34 30.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.12 -48.81 19.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.806 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 41.2 mm -56.14 -24.95 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 61.32 111.132 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 71' ' ' PHE . 7.6 tt -54.07 -45.22 71.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 74.32 110.925 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -63.01 -19.07 64.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.866 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.79 -34.14 30.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 53.34 110.904 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.06 HG21 HD11 ' A' ' 129' ' ' ILE . 3.4 t -88.1 -31.43 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.02 111.1 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.517 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -80.48 -18.89 47.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 74.4 110.912 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -71.68 -45.69 61.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 52.01 110.845 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -36.52 69.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 63.4 110.902 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 20' ' ' PHE . 28.9 mt -51.96 -40.04 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 73.11 111.15 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.09 -20.99 40.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 72.01 110.858 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -65.69 -59.02 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 71.43 110.932 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 pt -81.57 -20.03 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.132 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.83 -29.68 75.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.51 112.479 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.0 p -92.0 -21.01 20.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.728 0.299 . . . . 73.02 111.097 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.99 -29.75 68.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 60.13 110.889 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 78.0 p -82.04 -17.96 44.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 73.52 110.835 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.9 t -68.26 -20.47 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 54.25 111.15 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -87.27 -56.42 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 73.35 110.815 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.85 -26.33 14.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 64.42 111.145 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.98 -39.19 93.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.707 -0.759 . . . . 55.22 112.492 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.86 -24.4 22.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.828 0.347 . . . . 75.11 110.854 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 mp -77.07 -35.26 56.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 61.43 110.943 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.473 HG12 HD12 ' A' ' 111' ' ' LEU . 1.1 mp -75.8 -50.44 23.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 75.23 111.11 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.82 -57.67 11.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 61.15 110.86 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.451 HD12 ' HA2' ' A' ' 43' ' ' GLY . 4.2 mp -51.34 -36.13 41.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 65.21 110.95 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.8 t -65.13 -41.22 95.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 72.51 110.882 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -74.48 -40.68 61.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.901 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.86 -35.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 64.23 110.878 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' HA2' HD12 ' A' ' 39' ' ' LEU . . . 96.7 -24.74 29.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 74.52 112.508 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 93.25 -174.64 35.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.74 . . . . 53.03 112.479 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.81 -53.96 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 32.32 112.49 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -67.1 -117.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.676 -0.773 . . . . 43.14 112.503 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.14 147.31 13.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 61.33 112.497 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.03 -165.43 27.84 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.684 -0.77 . . . . 63.44 112.524 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -9.87 27.19 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 73.52 112.383 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -73.76 -35.88 65.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.888 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.645 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -62.78 -38.14 89.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.969 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -65.61 -49.51 68.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 74.35 110.864 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.3 t -68.48 -34.14 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 73.52 111.139 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 t -73.6 -36.44 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.15 111.106 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 55' ' ' ASN . 1.5 m-80 -82.99 -23.94 33.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.911 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.2 t -87.54 -44.23 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 64.13 111.11 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.1 mm -74.06 -24.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 73.35 111.119 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.7 mt-10 -52.14 -60.38 6.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.645 0.736 . . . . 62.53 110.915 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.826 ' HG3' HD13 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.74 -20.89 34.35 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 74.21 112.318 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 15.9 m -66.16 -34.44 78.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 60.45 110.904 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.35 -62.04 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 54.45 110.916 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -56.26 -24.87 45.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 74.31 110.881 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.25 -24.39 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.5 110.885 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.424 ' O ' HG22 ' A' ' 67' ' ' THR . 68.3 m -55.55 -34.26 64.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.842 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -70.81 -20.89 62.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 74.23 110.924 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 54.6 mt -73.71 -48.55 31.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 72.3 110.938 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 64' ' ' SER . 9.8 t -64.4 -14.88 59.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 72.31 111.154 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.44 -13.14 36.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 73.5 112.486 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.03 -12.46 35.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.856 0.36 . . . . 72.42 110.944 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.763 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.5 t -91.21 -44.34 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 54.13 111.127 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.552 ' CZ ' HD13 ' A' ' 129' ' ' ILE . 35.9 m-85 -83.05 1.14 41.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 61.43 110.887 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -120.18 -67.38 0.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 72.31 110.931 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 mt -120.2 76.41 23.92 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.566 0.698 . . . . 73.34 110.933 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 129.0 16.92 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.733 2.289 . . . . 74.05 112.337 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 82.5 p -102.94 -13.21 17.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 63.15 111.13 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -176.42 179.57 1.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 54.2 110.897 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.8 m -60.14 -20.58 59.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 75.2 110.846 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.56 41.0 0.1 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 72.45 112.489 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.624 ' O ' HG22 ' A' ' 82' ' ' THR . 5.4 mm-40 -67.05 -51.54 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.9 0.381 . . . . 71.43 110.84 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.21 -30.91 34.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 70.32 110.947 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.763 ' HG2' HG21 ' A' ' 70' ' ' VAL . 8.8 mtt -63.5 -40.11 96.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 73.41 110.893 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 79' ' ' GLU . 2.4 t -56.55 -23.81 42.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 71.5 111.116 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.594 ' O ' HG23 ' A' ' 87' ' ' VAL . 16.9 tt0 -80.13 -24.15 40.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 71.33 110.875 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.8 t -81.84 -27.9 33.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 72.32 110.861 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 7.3 mttm -63.53 -28.97 70.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 62.02 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.03 -17.97 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 23.11 110.853 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 83' ' ' GLU . 85.5 t -73.8 -29.03 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 73.33 111.115 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.2 mt -86.08 -35.27 20.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 61.22 110.936 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' O ' HG22 ' A' ' 92' ' ' THR . 2.5 ttmm -76.7 -36.31 57.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 63.35 110.931 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.2 p -80.56 -19.87 44.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.23 -0.441 . . . . 63.52 110.835 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.826 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.8 tp -73.88 -48.3 31.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 71.12 110.928 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.5 t -53.8 -27.09 27.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 62.0 111.145 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -26.84 38.14 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.895 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.41 -27.25 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 55.14 110.873 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.8 tp -83.18 -49.23 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 51.12 110.944 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -57.72 -26.45 61.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 75.11 110.92 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.39 -12.88 61.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.51 110.897 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.645 HD13 ' CE2' ' A' ' 51' ' ' TYR . 1.8 tp -52.05 -24.34 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 70.42 111.16 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.8 p -57.77 -19.55 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 72.21 111.15 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -85.19 -19.98 30.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 55.14 110.863 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.648 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -103.64 -55.35 2.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 74.12 110.967 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.95 81.26 28.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.581 0.705 . . . . 74.51 111.141 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -3.4 11.9 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.717 2.278 . . . . 74.43 112.389 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.44 -35.42 75.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 51.4 110.859 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 81.5 p -90.68 -15.47 30.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 70.55 111.158 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.7 t -52.98 -23.79 8.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 63.44 110.876 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 m -59.11 -18.44 35.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 54.12 110.84 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.503 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.92 -14.22 56.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 52.23 111.113 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.51 -57.5 8.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.667 0.746 . . . . 74.25 111.124 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.6 Cg_endo -69.8 -14.0 35.35 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.267 . . . . 65.41 112.317 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.473 HD12 HG12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.44 -61.29 1.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 75.25 110.896 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 108' ' ' ALA . 3.9 tt -77.29 -22.03 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.35 111.088 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.71 -27.56 13.2 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 64.35 112.48 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -61.52 -35.0 76.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 74.23 110.913 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -85.46 -30.57 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 64.32 110.871 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -65.15 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 75.53 110.888 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.42 -26.88 63.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.93 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.04 -61.95 1.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.886 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 123' ' ' VAL . 30.6 m -63.04 -37.9 89.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 74.1 111.152 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -55.36 -34.45 64.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 75.04 110.873 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.01 -17.0 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 63.14 110.867 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -85.45 -23.87 27.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.42 110.901 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 119' ' ' THR . 59.4 t -58.73 -23.01 22.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 70.11 111.104 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.42 -19.94 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.25 110.93 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.4 m -56.13 -26.83 51.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 73.4 110.81 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.8 t -52.99 -41.53 64.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.32 110.839 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.31 -23.98 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 74.42 111.13 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -31.25 63.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 73.03 110.901 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 1.06 HD11 HG21 ' A' ' 19' ' ' VAL . 2.3 mp -75.93 -54.39 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.24 111.147 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -22.57 49.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 73.23 111.119 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.628 ' O ' HG22 ' A' ' 134' ' ' ILE . 2.8 tt0 -59.87 -18.73 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 71.12 110.897 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.79 -33.48 22.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 64.41 110.867 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.12 -21.42 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 54.11 111.126 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 131' ' ' GLU . 1.1 tt -52.9 -28.03 13.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 75.22 111.129 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.72 -36.08 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.907 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.27 -42.03 8.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 55.42 111.136 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.99 -54.18 47.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 54.4 110.854 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -53.08 -53.4 50.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 71.41 110.847 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.52 -74.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 73.33 110.883 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 94.7 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 64.32 110.883 -179.827 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.821 0.343 . . . . 74.35 110.858 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.47 129.34 9.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 72.43 111.112 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.85 132.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 62.32 110.892 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -73.48 102.26 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.838 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.98 -178.13 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.871 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 28.5 m80 59.95 93.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 73.41 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.39 -170.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 75.14 110.881 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.401 ' HB3' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -121.39 106.37 11.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 62.42 110.843 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -170.23 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 62.45 111.09 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 31.8 mmt -80.15 -44.52 19.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 75.21 110.921 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.25 -18.98 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 62.44 111.139 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.511 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.39 -28.51 7.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.21 111.114 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -80.54 -25.37 38.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 73.13 110.873 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -48.77 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 71.11 110.85 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.08 -24.97 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 74.43 111.163 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.6 HD13 ' CD1' ' A' ' 71' ' ' PHE . 10.3 tp -51.98 -45.19 64.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 74.15 110.881 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.74 -28.43 69.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 61.13 110.881 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -36.36 77.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 72.53 110.864 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.588 ' CG2' HD12 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -87.99 -28.17 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.51 111.147 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.676 ' HA ' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -81.14 -18.91 44.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 61.43 110.873 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -79.54 -42.11 25.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 74.1 110.852 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -46.55 81.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 71.53 110.886 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 20' ' ' PHE . 10.3 mt -51.53 -40.91 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 71.33 111.178 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 9.4 m -81.03 -21.02 40.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 71.44 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -69.0 -59.09 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.05 110.862 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.504 ' CG2' HG23 ' A' ' 119' ' ' THR . 1.2 tt -85.99 -19.92 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.41 111.157 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.75 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -65.62 -55.97 17.5 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.728 -0.749 . . . . 60.15 112.524 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.0 p -61.72 -20.91 64.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.747 0.308 . . . . 72.34 111.159 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -72.29 -38.58 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.885 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.5 m -82.01 -22.82 36.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 71.14 110.856 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 27' ' ' GLY . 60.0 t -68.07 -20.61 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 75.23 111.14 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -86.11 -59.37 2.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.897 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.43 -23.09 47.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 70.22 111.107 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.35 -39.92 41.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 71.32 112.459 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.661 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.65 -26.7 21.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 73.25 110.879 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.7 mp -71.87 -37.95 70.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 71.02 110.906 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -78.91 -37.61 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 74.22 111.126 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -46.21 87.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.52 110.896 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 35' ' ' ARG . 2.7 mm? -51.65 -29.59 18.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 70.2 110.893 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 74.4 m -80.02 -56.52 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 61.2 110.892 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.454 HE22 HD23 ' A' ' 111' ' ' LEU . 5.8 mt-30 -51.29 -55.5 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 72.54 110.924 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -177.87 50.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 62.32 110.86 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.509 ' O ' HD13 ' A' ' 39' ' ' LEU . . . -112.64 12.27 25.4 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 52.21 112.476 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -94.35 41.5 2.58 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.771 -0.728 . . . . 53.51 112.479 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -168.0 175.7 42.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 62.33 112.432 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.13 -151.17 7.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.748 . . . . 52.1 112.512 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.18 154.56 5.15 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 21.14 112.501 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.39 -179.55 39.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 70.3 112.509 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -10.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.719 2.28 . . . . 73.15 112.344 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.523 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.22 -33.69 37.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.901 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -62.88 -36.31 82.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 75.13 110.878 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' HD2' HG23 ' A' ' 53' ' ' VAL . 1.7 t80 -64.37 -50.64 66.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 72.45 110.866 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.495 HG23 ' HD2' ' A' ' 52' ' ' PHE . 63.7 t -70.4 -32.2 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.11 111.12 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 t -73.56 -34.98 43.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 71.51 111.111 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.09 -24.23 26.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 51.02 110.889 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.6 t -86.29 -45.02 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 74.05 111.156 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.4 mm -74.53 -23.36 18.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 63.31 111.12 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 0.0 OUTLIER -51.6 -60.88 5.01 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.658 0.742 . . . . 74.34 110.908 179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' A' ' 58' ' ' GLU . 53.9 Cg_endo -69.75 -24.07 30.11 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.66 2.24 . . . . 43.54 112.342 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.72 -33.43 75.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 53.51 110.912 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -51.7 -55.9 16.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.876 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -25.5 51.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 74.13 110.874 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.09 -24.63 27.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 63.4 110.899 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -35.67 56.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 74.51 110.899 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -55.6 -26.08 41.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 65.01 110.887 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 84' ' ' SER . 6.3 mt -71.91 -37.99 69.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 73.22 110.923 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.422 HG21 ' CZ ' ' A' ' 20' ' ' PHE . 6.8 m -62.48 -21.01 65.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 74.34 111.126 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -98.6 -13.66 40.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 31.2 112.475 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.723 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.4 tp -91.01 -8.11 50.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.341 . . . . 64.42 110.935 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.407 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.09 -31.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 63.01 111.122 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.6 ' CD1' HD13 ' A' ' 16' ' ' LEU . 67.4 m-85 -98.29 1.11 46.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -118.55 -59.82 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 72.42 110.925 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 73' ' ' LEU . 0.5 OUTLIER -142.74 75.11 18.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.591 0.71 . . . . 74.22 110.911 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 129.52 17.72 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 62.42 112.36 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 95.6 m -58.31 -21.89 50.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 74.04 111.133 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -176.42 -172.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.867 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.7 p -62.54 -17.13 59.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.89 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.94 30.44 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 55.53 112.453 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.09 -44.24 13.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 71.51 110.889 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.723 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -81.07 -33.57 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 62.23 110.902 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.407 ' HG2' HG21 ' A' ' 70' ' ' VAL . 19.8 mtt -69.42 -53.92 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 63.43 110.876 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 t -53.85 -27.54 30.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 62.43 111.158 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.487 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.0 tt0 -82.97 -28.96 29.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 74.3 110.886 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.595 ' HA ' HD12 ' A' ' 66' ' ' LEU . 1.0 OUTLIER -84.96 -21.0 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 61.13 110.885 -179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.73 -42.65 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 72.04 110.906 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 37.0 m -61.93 -18.27 59.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 45.11 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 83' ' ' GLU . 92.1 t -87.01 -22.98 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 71.43 111.129 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.11 -33.95 72.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.919 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -27.6 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 71.3 110.918 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 51.7 m -87.22 -19.77 27.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 64.44 110.84 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.36 -42.35 62.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.901 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.8 t -58.41 -22.03 52.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 71.35 111.145 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -51.01 -41.2 59.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.89 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -55.56 -33.72 64.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 72.43 110.874 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.455 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.1 tm? -83.39 -48.8 9.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 74.43 110.916 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -57.46 -24.87 58.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 70.45 110.913 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -13.04 61.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.889 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.9 tp -51.97 -24.23 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 73.44 111.148 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.7 p -57.66 -19.83 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 34.54 111.162 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -84.83 -19.49 32.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.887 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.624 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.6 -55.16 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 65.45 110.919 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.624 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.7 mp -137.85 79.99 31.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.58 0.705 . . . . 72.34 111.097 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -3.4 11.97 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.66 2.24 . . . . 62.31 112.348 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -36.07 75.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 75.35 110.884 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.26 -15.74 28.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 70.52 111.148 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 14.5 m -61.48 -16.62 48.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 65.53 110.878 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.07 -18.72 37.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 72.04 110.854 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.34 -13.8 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 43.45 111.132 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.55 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.31 -57.41 8.52 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 74.12 111.131 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.0 Cg_endo -69.76 -14.23 35.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.682 2.255 . . . . 52.3 112.373 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.454 HD23 HE22 ' A' ' 41' ' ' GLN . 0.1 OUTLIER -84.47 -61.42 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 71.23 110.902 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.23 -21.82 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 75.31 111.138 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.67 -27.13 11.76 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.788 -0.72 . . . . 52.24 112.475 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.35 -33.67 72.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.03 110.906 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -85.43 -32.26 22.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.956 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -65.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.07 -0.513 . . . . 65.52 110.864 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.36 -29.98 62.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.9 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -51.95 -58.37 6.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 52.01 110.952 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.504 HG23 ' CG2' ' A' ' 26' ' ' ILE . 2.6 m -70.25 -37.05 74.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 62.12 111.174 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -26.55 48.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 73.13 110.875 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.94 -22.27 27.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.32 110.91 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -85.99 -36.75 19.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 63.13 110.859 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.5 p -57.55 -23.05 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 75.21 111.163 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -19.98 58.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.34 110.862 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -25.34 48.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 70.12 110.803 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.2 t -52.06 -36.68 51.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.3 110.871 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.2 mp -83.93 -25.13 7.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 63.4 111.183 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -66.44 -54.42 24.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.899 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.588 HD12 ' CG2' ' A' ' 19' ' ' VAL . 31.2 mt -55.42 -43.16 70.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.3 111.133 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -22.51 65.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.171 -0.468 . . . . 60.42 111.193 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -60.19 -18.39 47.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 64.31 110.871 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.52 -19.72 30.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.864 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.41 HG21 HD13 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.75 -26.72 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 64.13 111.143 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -30.9 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.088 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -74.44 -21.4 59.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 74.52 110.899 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.487 HG23 HH11 ' A' ' 139' ' ' ARG . 0.0 OUTLIER -76.93 -44.08 32.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.154 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -76.06 -9.13 58.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 71.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -104.64 -24.84 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.03 110.824 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.487 HH11 HG23 ' A' ' 136' ' ' THR . 1.0 OUTLIER -51.96 -74.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.894 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.882 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.776 0.322 . . . . 62.3 110.887 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.75 178.41 9.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 51.43 111.064 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -119.44 -73.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 73.02 110.869 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -141.13 -73.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 62.14 110.849 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.8 t60 62.64 99.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.906 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 55.68 -170.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.869 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -174.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 72.33 110.904 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.64 ' HB3' HD13 ' A' ' 12' ' ' ILE . 50.1 m80 -73.68 107.74 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 73.31 110.861 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -169.4 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 74.0 111.128 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 15.4 mmt -80.09 -44.58 19.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 54.23 110.906 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.17 -19.02 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 73.3 111.174 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.684 HD11 HG21 ' A' ' 133' ' ' VAL . 0.4 OUTLIER -83.39 -28.56 7.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 64.52 111.139 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -83.92 -17.96 38.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.871 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -83.16 -42.96 16.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.2 mt -56.19 -24.91 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 71.32 111.127 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.744 HD12 ' HB2' ' A' ' 71' ' ' PHE . 9.2 tt -54.42 -43.95 71.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 61.42 110.907 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -63.58 -18.87 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 72.43 110.927 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.8 t -76.8 -39.77 50.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 61.34 110.891 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.565 HG23 HD12 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -88.12 -27.77 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 55.51 111.154 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.81 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -80.84 -18.95 45.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 53.11 110.881 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -70.11 -47.76 60.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 63.2 110.878 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -38.09 88.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 75.43 110.879 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 20' ' ' PHE . 70.4 mt -51.7 -37.71 20.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 71.32 111.129 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.425 ' O ' HG23 ' A' ' 28' ' ' THR . 5.0 m -80.99 -24.98 37.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.933 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.84 -59.0 4.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 64.42 110.909 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 tt -85.78 -20.0 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 73.34 111.132 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.679 ' O ' HG23 ' A' ' 31' ' ' VAL . . . -70.82 -43.62 58.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 60.23 112.447 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 24' ' ' CYS . 72.5 p -73.98 -37.3 64.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 64.4 111.139 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.87 -27.33 66.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.8 m -78.3 -29.66 47.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.33 110.887 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 27' ' ' GLY . 59.3 t -60.06 -20.51 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 72.22 111.141 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -86.31 -59.25 2.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.1 110.84 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.59 -22.9 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 71.35 111.111 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.521 ' HA2' HD12 ' A' ' 112' ' ' ILE . . . -76.52 -39.06 31.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.725 -0.75 . . . . 63.11 112.475 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -88.66 -22.83 23.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.879 0.371 . . . . 74.41 110.896 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -77.71 -38.5 47.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 61.32 110.894 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.522 HG23 ' HG ' ' A' ' 111' ' ' LEU . 1.3 mp -75.25 -41.04 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 72.31 111.126 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.25 -59.28 4.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 65.41 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD22 ' HA3' ' A' ' 43' ' ' GLY . 3.7 mm? -49.44 -31.02 8.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.898 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -61.89 -50.56 71.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.858 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -79.09 -58.04 3.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.958 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -177.48 53.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.856 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.474 ' HA3' HD22 ' A' ' 39' ' ' LEU . . . -55.76 -23.62 37.81 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 64.55 112.474 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.19 13.34 66.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.744 -0.741 . . . . 72.41 112.468 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.52 128.8 41.67 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 71.23 112.46 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.26 -114.04 3.04 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 70.32 112.467 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.72 175.19 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 70.12 112.469 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.44 -179.21 39.58 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 71.54 112.482 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -10.78 29.43 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 73.03 112.354 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.514 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.7 -24.99 38.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.935 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -68.12 -39.37 82.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 75.24 110.921 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -59.9 -38.83 83.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 72.42 110.844 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.93 -26.45 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 61.14 111.138 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.2 t -75.79 -31.94 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 73.31 111.115 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.21 -24.68 22.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.889 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.8 t -85.96 -45.1 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 73.42 111.14 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mm -75.01 -22.56 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.02 111.089 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 1.2 mm-40 -51.82 -60.63 5.63 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.665 0.745 . . . . 75.24 110.883 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.676 ' CG ' HD22 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.73 -25.81 28.37 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.25 . . . . 75.34 112.325 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.39 77.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.895 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -55.04 -60.3 3.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 71.44 110.907 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.89 -25.46 42.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 45.24 110.873 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -24.88 33.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 75.52 110.864 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 64.2 m -55.16 -37.89 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 71.22 110.853 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.73 -22.07 50.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.927 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.593 HD22 ' HD3' ' A' ' 80' ' ' LYS . 79.0 mt -70.19 -47.85 59.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 73.03 110.918 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.1 t -65.28 -14.36 60.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 72.52 111.145 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.47 -13.7 32.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 65.23 112.527 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.01 -20.03 22.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 75.51 110.917 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.749 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.9 t -87.22 -31.9 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 73.11 111.148 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.744 ' HB2' HD12 ' A' ' 16' ' ' LEU . 48.6 m-85 -93.71 1.03 56.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.22 110.859 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -104.7 -61.22 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 44.24 110.876 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.3 mt -154.81 71.43 5.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.586 0.708 . . . . 73.53 110.918 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.08 16.99 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 44.23 112.322 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.73 43.36 2.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 45.11 111.134 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.77 166.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 64.21 110.91 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.7 t -65.75 -14.49 61.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 75.31 110.863 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 170.08 43.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.755 -0.736 . . . . 53.24 112.491 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.29 -60.2 3.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 73.11 110.869 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.593 ' HD3' HD22 ' A' ' 66' ' ' LEU . 1.7 mmtp -81.07 -19.95 42.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 73.14 110.943 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.749 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.0 mtt -69.01 -55.43 10.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 52.12 110.899 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 15.4 t -51.65 -31.69 26.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.447 . . . . 72.5 111.118 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.732 ' O ' HG23 ' A' ' 87' ' ' VAL . 13.1 tt0 -84.8 -29.39 25.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.877 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -28.51 67.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.879 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -41.79 15.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 71.04 110.918 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -62.16 -17.94 59.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 43.21 110.881 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 83' ' ' GLU . 39.0 t -69.12 -31.83 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 71.01 111.117 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 61.0 mt -86.03 -34.65 20.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 70.3 110.916 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.445 ' O ' HG22 ' A' ' 92' ' ' THR . 5.4 ttmt -75.94 -36.71 59.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 73.33 110.869 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.4 t -80.69 -20.03 43.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 64.44 110.867 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.676 HD22 ' CG ' ' A' ' 59' ' ' PRO . 2.1 tp -75.32 -48.69 21.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 65.32 110.899 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.2 t -53.44 -27.73 26.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 62.34 111.177 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -55.19 -32.27 62.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 72.32 110.93 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.62 -22.87 32.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 61.22 110.904 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.9 tp -82.62 -38.09 24.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 73.41 110.925 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' O ' HG22 ' A' ' 99' ' ' VAL . 14.4 mttm -68.36 -32.91 73.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 74.55 110.918 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -11.98 61.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.856 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.84 -23.54 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 72.42 111.1 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.446 HG12 ' HB2' ' A' ' 106' ' ' SER . 5.9 m -57.58 -19.69 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 63.14 111.109 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.13 -19.93 31.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.41 110.913 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.629 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.6 -55.39 2.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 73.13 110.933 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.629 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.99 80.98 28.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 73.54 111.162 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -3.38 11.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.658 2.239 . . . . 55.44 112.377 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 64.8 p -69.61 -35.49 75.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 62.21 110.831 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -90.7 -15.52 30.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 64.41 111.155 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.446 ' HB2' HG12 ' A' ' 99' ' ' VAL . 2.9 t -52.89 -24.02 8.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 72.12 110.887 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.17 -18.42 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 73.24 110.87 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.96 -14.23 56.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 71.1 111.127 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.54 -57.49 8.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 62.3 111.113 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.9 Cg_endo -69.81 -14.01 35.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.264 . . . . 63.23 112.291 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HG ' HG23 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.41 -61.3 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 64.34 110.932 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.521 HD12 ' HA2' ' A' ' 34' ' ' GLY . 8.7 tt -77.36 -22.02 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 74.02 111.1 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.82 -27.46 13.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 64.24 112.51 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -61.46 -34.44 75.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.763 0.316 . . . . 61.43 110.858 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -85.43 -31.3 22.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 73.0 110.927 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -65.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 42.53 110.855 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mt -57.89 -24.97 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 54.15 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.54 -52.43 65.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.53 110.902 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 85.5 m -69.35 -39.16 78.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 64.1 111.106 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -38.67 60.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 71.43 110.852 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.05 -16.98 36.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 73.5 110.886 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -80.49 -43.11 21.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 73.33 110.885 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 5.8 p -57.68 -22.98 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 63.45 111.171 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.53 -19.95 58.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 61.54 110.883 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.02 -20.75 59.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 73.31 110.859 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.82 -56.52 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 64.54 110.878 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.59 HG22 ' SD ' ' A' ' 81' ' ' MET . 26.2 pt -63.26 -24.0 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 62.43 111.13 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -48.51 48.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 71.21 110.944 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.565 HD12 HG23 ' A' ' 19' ' ' VAL . 85.2 mt -67.78 -48.21 76.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 65.12 111.17 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.728 HG21 ' CG1' ' A' ' 70' ' ' VAL . 47.3 p -65.04 -22.51 66.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 75.04 111.145 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -18.36 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 73.23 110.912 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -84.75 -19.87 31.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 63.51 110.887 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.684 HG21 HD11 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -86.69 -25.6 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 72.24 111.096 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 4.2 tp -77.84 -22.78 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.14 111.133 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -24.62 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 72.44 110.852 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -44.01 7.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 31.23 111.162 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -61.51 -28.74 69.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 74.12 110.905 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -77.98 -51.57 10.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.829 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.07 -74.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 72.24 110.864 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 65.32 110.862 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.79 0.329 . . . . 75.2 110.846 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.56 103.49 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 61.44 111.09 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -138.6 159.98 40.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 64.33 110.876 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -145.72 160.37 41.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 73.14 110.876 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -176.95 156.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 60.2 110.848 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -65.14 172.38 3.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.835 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 53.57 -170.07 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 44.31 110.83 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.24 106.12 4.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 74.05 110.83 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.507 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -173.05 -47.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 64.14 111.097 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.28 -44.55 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 64.52 110.861 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -90.35 -18.9 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 71.32 111.133 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.507 HG22 ' CA ' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -83.41 -28.54 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 75.1 111.129 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.3 -20.5 29.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 73.45 110.882 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -84.02 -48.45 9.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 73.23 110.863 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.1 mm -56.13 -24.95 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 71.12 111.142 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.517 HD12 ' CB ' ' A' ' 71' ' ' PHE . 2.1 tt -55.66 -36.91 67.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 54.34 110.925 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.52 -18.96 65.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.12 110.902 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -77.04 -39.69 49.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 54.42 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.744 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.4 OUTLIER -88.02 -27.84 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.117 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.685 ' HA ' HD12 ' A' ' 23' ' ' ILE . 1.6 t80 -80.87 -18.94 45.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.941 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -70.33 -45.73 65.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 63.44 110.864 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 73.42 110.902 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 20' ' ' PHE . 68.1 mt -51.84 -40.33 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 52.13 111.145 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 19.4 m -81.03 -20.96 40.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 73.14 110.898 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -67.56 -59.06 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 63.23 110.871 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.565 HD11 HG23 ' A' ' 119' ' ' THR . 14.6 pt -86.02 -19.96 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 73.34 111.125 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.34 -18.16 73.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 61.04 112.483 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.9 p -91.99 -37.55 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.752 0.311 . . . . 71.45 111.171 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -68.68 -18.03 64.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.859 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.13 -20.99 60.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.844 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.9 t -74.32 -20.95 17.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.01 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -87.68 -53.71 4.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 64.12 110.898 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.491 ' HB1' ' HE2' ' A' ' 115' ' ' TYR . . . -54.47 -24.77 21.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.54 111.083 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.46 -40.37 79.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.754 -0.736 . . . . 71.23 112.504 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.485 ' O ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -89.27 -21.52 23.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 55.34 110.943 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -78.96 -36.11 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 61.03 110.934 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.962 HG23 HD13 ' A' ' 111' ' ' LEU . 1.1 mp -75.57 -51.0 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 73.14 111.151 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -53.86 -58.53 6.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 75.43 110.872 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.42 -34.02 33.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.479 . . . . 72.15 110.918 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -62.58 -42.83 99.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 64.01 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.705 ' NE2' HD12 ' A' ' 111' ' ' LEU . 8.3 mt-30 -77.76 -43.22 31.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.891 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.7 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 64.43 110.873 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.55 21.96 44.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 70.01 112.494 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.93 -172.82 21.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.75 . . . . 74.14 112.484 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 112.18 -179.09 19.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.816 -0.707 . . . . 62.55 112.509 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -61.68 -101.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 71.31 112.503 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.17 152.7 6.46 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 32.41 112.508 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.95 -165.15 27.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 41.13 112.469 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -9.9 27.26 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.699 2.266 . . . . 73.5 112.362 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 54' ' ' VAL . 5.1 mt -73.86 -34.06 64.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 63.43 110.934 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.658 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -66.83 -37.87 85.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.52 110.94 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.09 -33.17 75.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 65.33 110.881 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.548 ' HA ' HG12 ' A' ' 56' ' ' VAL . 42.6 t -86.24 -29.02 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 60.42 111.117 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 50' ' ' LEU . 42.2 t -80.88 -27.64 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 55.34 111.112 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.426 HD22 ' N ' ' A' ' 55' ' ' ASN . 1.5 m-80 -89.19 -24.11 22.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 64.34 110.898 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.591 HG23 HD21 ' A' ' 91' ' ' LEU . 5.1 p -90.05 -27.86 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 72.14 111.122 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.404 ' HA ' ' HB2' ' A' ' 60' ' ' CYS . 11.9 mm -90.79 -26.28 5.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.121 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.3 mm-40 -52.36 -59.98 7.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.625 0.726 . . . . 71.12 110.856 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.83 ' HG3' HD13 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.78 -21.66 33.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.674 2.249 . . . . 61.12 112.359 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.404 ' HB2' ' HA ' ' A' ' 57' ' ' ILE . 0.0 OUTLIER -66.86 -33.28 75.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 62.32 110.884 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -54.54 -61.92 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.917 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -25.15 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.879 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.46 -24.47 36.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 64.52 110.876 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 67' ' ' THR . 0.1 OUTLIER -55.63 -34.71 65.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 61.41 110.85 -179.77 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.36 -21.0 62.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 52.23 110.908 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.591 HD22 ' HD3' ' A' ' 80' ' ' LYS . 29.6 mt -74.96 -47.57 28.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 71.22 110.89 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 64' ' ' SER . 9.2 t -65.19 -14.29 60.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 75.21 111.137 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.94 -13.65 33.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.702 -0.761 . . . . 65.14 112.42 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.99 -21.37 21.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 74.22 110.866 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.719 HG21 ' HG2' ' A' ' 81' ' ' MET . 3.0 t -86.68 -31.84 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 52.31 111.123 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CB ' HD12 ' A' ' 16' ' ' LEU . 12.3 m-85 -92.24 0.97 57.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.863 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -104.98 -64.16 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 73.31 110.928 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.4 tp -151.8 71.62 8.03 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.664 0.745 . . . . 73.43 110.874 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.29 17.38 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.676 2.251 . . . . 63.44 112.352 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.3 m -115.4 43.46 2.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 64.25 111.143 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.87 164.8 0.67 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 71.15 110.88 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.46 -14.72 61.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 64.02 110.863 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.43 44.12 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 72.23 112.479 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' HG22 ' A' ' 82' ' ' THR . 4.2 mm-40 -57.19 -59.52 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.966 0.412 . . . . 44.5 110.897 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.591 ' HD3' HD22 ' A' ' 66' ' ' LEU . 1.6 mmtt -81.02 -19.98 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 61.22 110.901 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.719 ' HG2' HG21 ' A' ' 70' ' ' VAL . 13.2 mtt -71.15 -50.98 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 64.2 110.846 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 79' ' ' GLU . 6.5 t -55.35 -28.19 52.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 75.24 111.145 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.548 ' O ' HG23 ' A' ' 87' ' ' VAL . 56.4 mt-10 -88.01 -19.98 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 62.22 110.908 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.11 -21.01 31.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.853 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -82.64 -50.22 8.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 73.12 110.936 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.7 t -62.11 -17.97 59.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.907 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 83' ' ' GLU . 3.1 t -72.93 -31.79 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.071 -0.513 . . . . 74.42 111.155 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.7 mt -81.99 -34.89 29.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 61.51 110.929 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.446 ' O ' HG22 ' A' ' 92' ' ' THR . 0.0 OUTLIER -77.73 -35.67 51.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.888 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -80.72 -19.96 43.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.854 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.83 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.9 tp -72.98 -47.93 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 74.23 110.922 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.446 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.2 t -53.95 -26.88 27.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 72.32 111.147 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.52 -27.15 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 72.1 110.877 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.97 -28.8 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.34 110.933 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 39.0 tp -83.25 -48.58 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 70.43 110.931 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -57.63 -26.54 61.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.931 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -12.94 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 63.05 110.894 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.658 HD13 ' CE2' ' A' ' 51' ' ' TYR . 1.8 tp -52.0 -24.38 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 70.12 111.165 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 p -57.87 -19.46 12.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 71.03 111.156 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -85.32 -20.03 30.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 75.43 110.857 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.638 ' HB3' HD12 ' A' ' 102' ' ' ILE . 0.3 OUTLIER -103.65 -55.47 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 55.25 110.928 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.638 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.05 81.47 26.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 74.34 111.089 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -3.44 12.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.679 2.253 . . . . 63.3 112.375 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -35.38 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.834 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 69.8 p -90.6 -15.39 30.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.45 111.201 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.9 t -52.81 -23.96 7.96 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.461 . . . . 64.44 110.885 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.07 -18.42 34.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 73.55 110.853 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.506 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.87 -14.27 56.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 63.32 111.079 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.542 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.57 -57.49 8.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.625 0.726 . . . . 73.32 111.154 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.4 Cg_endo -69.68 -14.12 35.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.715 2.277 . . . . 72.55 112.358 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.962 HD13 HG23 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -84.35 -61.3 1.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 73.53 110.918 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 108' ' ' ALA . 1.4 tt -77.21 -22.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 73.4 111.103 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.18 -26.86 13.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 35.23 112.479 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.28 -31.83 70.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 75.44 110.864 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.491 ' HE2' ' HB1' ' A' ' 33' ' ' ALA . 4.7 m-85 -85.37 -34.25 21.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 74.03 110.946 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.01 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.093 -0.503 . . . . 73.33 110.875 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.48 -28.14 65.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 64.04 110.931 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -52.08 -60.26 3.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.03 110.872 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.565 HG23 HD11 ' A' ' 26' ' ' ILE . 2.3 m -66.54 -39.95 88.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.145 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -56.12 -25.76 47.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 70.12 110.92 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.88 -22.49 27.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.14 110.816 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -83.15 -27.23 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.898 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 119' ' ' THR . 59.1 t -56.15 -24.92 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 73.42 111.109 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.13 -20.0 66.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 73.22 110.9 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -43.78 62.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 74.15 110.872 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.744 ' HA ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -58.61 -41.08 85.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 61.43 110.836 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 38.3 pt -77.26 -24.38 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 62.34 111.134 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -74.5 -44.25 52.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.881 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.49 HD12 ' CG2' ' A' ' 19' ' ' VAL . 38.0 mt -58.37 -45.0 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.141 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.566 HG21 HG12 ' A' ' 70' ' ' VAL . 0.6 OUTLIER -78.9 -22.53 45.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.34 111.175 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -60.08 -18.55 47.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.25 110.869 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.09 -20.47 38.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 51.53 110.87 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -74.03 -20.0 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 65.4 111.191 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.7 pp -58.03 -23.82 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.35 111.165 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.31 -33.58 43.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.89 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -39.16 18.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 63.52 111.132 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -60.62 -41.04 94.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 74.41 110.861 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -67.97 -49.09 63.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 72.23 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.38 -72.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 71.05 110.862 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 54.24 110.873 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.827 0.346 . . . . 74.23 110.881 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.63 118.22 22.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 72.23 111.057 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -106.11 -41.92 5.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 51.22 110.842 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -145.47 144.66 30.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.22 110.866 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -147.36 -58.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 74.02 110.818 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.638 ' H ' HG21 ' A' ' 136' ' ' THR . 0.1 OUTLIER 63.26 169.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 71.43 110.836 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.02 -76.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 63.02 110.864 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.641 ' HB3' HD13 ' A' ' 12' ' ' ILE . 4.0 m170 63.52 105.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.824 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' CA ' HG22 ' A' ' 12' ' ' ILE . . . -173.34 -47.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 51.11 111.11 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 16.3 mmt -80.43 -44.58 19.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.55 110.844 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -90.25 -18.96 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 71.34 111.163 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.641 HD13 ' HB3' ' A' ' 8' ' ' HIS . 0.5 OUTLIER -83.45 -28.5 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 74.22 111.172 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -83.93 -20.51 32.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 73.23 110.889 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -78.44 -41.9 31.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.858 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.744 HG21 HG21 ' A' ' 129' ' ' ILE . 7.1 mm -56.1 -25.0 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 51.31 111.132 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.512 HD23 ' N ' ' A' ' 17' ' ' LYS . 0.3 OUTLIER -54.71 -42.54 71.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.914 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' N ' HD23 ' A' ' 16' ' ' LEU . 21.7 mttt -61.51 -18.81 60.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.21 110.895 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.9 t -77.17 -39.04 50.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 63.3 110.857 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.09 -28.18 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 41.35 111.191 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.89 -18.95 45.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 60.01 110.873 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -70.11 -49.68 48.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 71.03 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -38.74 72.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 64.22 110.913 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.3 mt -51.73 -41.7 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 64.44 111.166 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -81.0 -21.01 40.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 54.11 110.892 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -59.02 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.862 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 tt -86.04 -19.99 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 74.1 111.12 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.41 -24.63 76.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 64.03 112.441 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.9 p -91.99 -31.54 15.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.702 0.286 . . . . 72.12 111.129 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -70.23 -17.96 63.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.901 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.77 -24.13 44.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 72.25 110.83 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t -71.19 -20.92 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.2 111.111 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -87.69 -55.5 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 63.25 110.919 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.26 -26.29 17.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 73.35 111.074 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.42 -40.4 91.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 60.33 112.492 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.43 -21.86 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.818 0.342 . . . . 75.4 110.851 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.69 -35.39 45.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 71.14 110.915 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.446 HG12 HD12 ' A' ' 111' ' ' LEU . 1.1 mp -76.32 -50.41 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 71.45 111.176 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -55.83 -56.42 20.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 60.43 110.856 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mp -51.33 -36.65 43.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 44.14 110.895 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.56 -41.49 88.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 23.43 110.854 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -72.18 -40.51 67.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.936 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -179.53 -34.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 72.41 110.861 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 61.15 16.66 49.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 34.52 112.527 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -101.49 -174.48 28.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.738 . . . . 55.23 112.454 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.08 163.05 10.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 75.51 112.494 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -52.83 -61.25 7.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.713 -0.756 . . . . 72.44 112.527 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.34 -171.88 48.43 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.749 . . . . 53.02 112.477 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.27 -178.35 19.88 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.731 -0.747 . . . . 71.44 112.47 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -10.85 29.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.7 2.267 . . . . 63.44 112.327 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD22 ' H ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -80.16 -27.16 39.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 61.1 110.899 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -63.92 -36.99 85.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 61.11 110.928 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -64.31 -52.03 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 74.02 110.886 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 64.8 t -69.23 -32.15 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 75.11 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -72.98 -36.49 51.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 75.14 111.095 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -85.04 -24.53 28.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 71.11 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.8 t -85.48 -45.14 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 44.1 111.118 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.4 mm -75.12 -22.7 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 53.3 111.104 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 3.3 mt-10 -51.41 -60.51 5.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.636 0.731 . . . . 71.5 110.907 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.811 ' HG3' HD13 ' A' ' 91' ' ' LEU . 54.2 Cg_endo -69.79 -26.41 27.46 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.68 2.253 . . . . 72.54 112.354 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -32.71 74.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 70.11 110.878 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -53.04 -57.12 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 65.31 110.859 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.79 -25.49 41.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 72.14 110.904 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.46 -24.88 31.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 64.43 110.882 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.88 -39.27 68.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.34 110.868 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -74.87 -24.76 58.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 71.2 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.85 -34.31 76.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.908 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.4 m -62.65 -19.26 63.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 73.35 111.129 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.53 -13.84 36.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 62.42 112.477 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.802 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.7 tp -91.05 -9.12 46.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.846 0.355 . . . . 71.01 110.895 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.589 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.8 t -95.06 -31.81 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 63.21 111.086 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -98.07 1.17 47.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 71.53 110.918 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -123.09 -58.57 1.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.909 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.76 73.53 2.24 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.603 0.716 . . . . 72.04 110.929 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.17 17.16 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.7 2.267 . . . . 73.14 112.349 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 m -104.19 -15.81 15.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 71.44 111.119 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.96 -170.76 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 50.41 110.883 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.7 p -63.28 -16.52 60.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 70.32 110.839 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -178.85 37.34 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 65.53 112.469 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -65.89 -52.37 50.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 63.51 110.906 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.802 ' HD2' HD23 ' A' ' 69' ' ' LEU . 1.8 mmtt -81.01 -20.02 42.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 50.03 110.89 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.589 ' HG2' HG21 ' A' ' 70' ' ' VAL . 17.1 mtt -78.62 -51.88 9.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.896 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 t -51.93 -29.6 20.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 64.53 111.089 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.449 ' O ' HG23 ' A' ' 87' ' ' VAL . 19.2 tt0 -85.83 -30.17 23.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 64.43 110.908 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -26.0 50.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 64.43 110.895 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.77 -37.68 29.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 64.43 110.883 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.17 -17.98 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 71.5 110.897 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 83' ' ' GLU . 4.9 t -72.9 -27.99 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 74.52 111.134 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 22.5 mt -86.03 -35.5 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 64.01 110.912 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.49 ' O ' HG22 ' A' ' 92' ' ' THR . 4.2 tppt? -77.5 -35.68 53.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 74.43 110.9 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 56.7 m -80.74 -19.94 43.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 71.32 110.877 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.811 HD13 ' HG3' ' A' ' 59' ' ' PRO . 2.0 tp -73.09 -47.47 44.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 52.43 110.894 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 89' ' ' LYS . 4.1 t -53.73 -27.4 28.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.179 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.29 -31.01 61.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.878 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.59 -23.06 32.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 73.05 110.882 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.5 tp -83.11 -39.97 20.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.947 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -66.51 -30.45 70.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 74.22 110.897 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -12.2 61.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 63.14 110.907 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 tp -51.73 -23.58 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 74.51 111.168 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.43 -19.88 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 63.25 111.115 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.75 -19.83 32.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 61.21 110.888 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.644 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.65 -55.33 2.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.929 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -137.94 80.94 28.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.626 0.726 . . . . 75.14 111.179 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 -3.37 11.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.735 2.29 . . . . 65.43 112.331 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -35.43 75.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 65.51 110.885 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.5 p -90.77 -15.52 30.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 74.43 111.167 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 33.3 t -55.09 -22.17 15.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 73.14 110.848 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.14 -18.32 34.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 24.45 110.862 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -81.9 -14.26 56.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 52.53 111.094 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.535 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.61 -57.5 8.67 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.655 0.74 . . . . 75.34 111.13 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 53.5 Cg_endo -69.81 -13.97 35.26 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.663 2.242 . . . . 74.43 112.332 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.446 HD12 HG12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -84.41 -61.28 1.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 73.32 110.897 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.514 HG22 ' O ' ' A' ' 108' ' ' ALA . 1.4 tt -77.18 -22.15 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.51 111.103 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.79 -27.47 13.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 44.31 112.501 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -61.62 -34.81 76.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.805 0.336 . . . . 70.23 110.942 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -85.37 -33.11 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.965 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -65.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 74.35 110.912 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.47 -25.01 61.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 72.42 110.874 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.52 -59.57 5.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 75.21 110.863 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.0 p -64.87 -37.07 86.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 73.31 111.143 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.97 -39.92 63.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.863 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.33 -17.25 46.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.911 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.07 -50.64 9.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 64.24 110.888 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.81 -25.3 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 64.42 111.095 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.422 ' O ' HD12 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -61.58 -20.64 63.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 73.11 110.94 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.1 -28.11 67.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 53.33 110.892 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.48 ' HA ' HG21 ' A' ' 19' ' ' VAL . 21.6 m -52.1 -36.34 50.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 70.04 110.83 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.479 ' H ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -83.94 -37.73 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 72.11 111.155 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -40.57 64.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.911 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.744 HG21 HG21 ' A' ' 15' ' ' ILE . 58.5 mt -67.52 -55.89 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 65.13 111.196 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.546 ' O ' HG12 ' A' ' 133' ' ' VAL . 0.5 OUTLIER -59.44 -22.5 61.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 75.41 111.167 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.06 -18.61 47.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 75.15 110.862 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -20.18 35.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.891 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 130' ' ' THR . 0.5 OUTLIER -74.89 -19.69 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 74.11 111.124 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.6 pp -63.78 -22.94 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 74.23 111.112 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -52.18 -33.15 39.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 61.21 110.875 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.638 HG21 ' H ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -94.8 -41.29 9.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 63.12 111.105 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -29.68 66.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 74.35 110.86 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -72.26 -39.69 68.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.867 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -61.05 -74.25 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.874 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 74.03 110.853 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.782 0.325 . . . . 75.2 110.929 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.89 -61.59 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 61.04 111.113 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.5 m170 53.39 81.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.33 110.825 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -171.77 97.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 71.25 110.877 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -141.7 177.37 8.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 71.04 110.844 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -177.76 33.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 75.22 110.846 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.25 -169.76 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 64.4 110.853 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.9 m80 63.4 -177.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.213 -0.449 . . . . 62.45 110.874 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.52 -46.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 54.44 111.088 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -32.27 47.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.11 110.857 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.71 -19.63 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 75.43 111.089 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -28.61 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.106 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -63.76 -30.82 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 75.14 110.894 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -29.14 42.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 55.1 110.927 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.1 mm -56.11 -24.96 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.118 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.598 HD13 ' CD1' ' A' ' 71' ' ' PHE . 45.7 tp -55.39 -33.57 63.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 45.25 110.955 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.87 -18.95 61.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 51.22 110.904 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.4 t -77.97 -38.13 45.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.14 110.896 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.732 HG21 ' HA ' ' A' ' 126' ' ' SER . 0.5 OUTLIER -88.04 -28.31 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.132 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.435 ' CE2' HG21 ' A' ' 67' ' ' THR . 0.1 OUTLIER -80.91 -18.97 45.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.892 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -72.65 -47.81 44.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.844 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -37.27 70.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.01 110.882 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.0 mt -51.75 -40.52 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.02 111.136 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.7 m -81.09 -20.95 40.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 61.41 110.85 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 tttt -69.87 -59.06 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.868 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 tp -70.52 -20.02 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 54.03 111.094 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -79.02 -15.99 79.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 73.11 112.559 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.2 m -90.71 -21.02 21.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.742 0.306 . . . . 74.2 111.108 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -84.09 -31.82 25.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 72.44 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.92 -17.98 65.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 50.02 110.88 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.0 t -66.18 -20.48 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.121 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -86.8 -55.44 3.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 73.42 110.87 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 115' ' ' TYR . . . -56.17 -22.45 28.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 63.12 111.082 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.74 -40.47 31.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 71.54 112.469 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.473 ' O ' HD23 ' A' ' 39' ' ' LEU . 26.3 mmm-85 -88.67 -20.14 25.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 73.21 110.899 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mp -80.36 -38.16 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 72.1 110.918 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 mp -73.67 -48.83 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.134 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.04 -59.17 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.882 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 35' ' ' ARG . 3.9 mm? -51.61 -33.86 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 73.42 110.908 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t -59.49 -42.01 91.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 72.1 110.881 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 108' ' ' ALA . 6.3 mt-30 -82.62 -44.34 15.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 72.42 110.868 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -177.85 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 73.21 110.875 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.23 11.78 59.6 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 74.22 112.473 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -131.49 -157.51 8.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.745 . . . . 73.02 112.459 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.34 110.14 2.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 63.42 112.524 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 52.21 -132.71 37.99 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.74 . . . . 72.3 112.452 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.21 158.94 3.03 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.696 -0.764 . . . . 52.33 112.47 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.92 -165.26 30.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 70.23 112.516 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -9.79 26.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.632 2.221 . . . . 73.31 112.358 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.04 -30.75 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.24 110.91 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.509 ' CE2' HD13 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -72.98 -34.27 66.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.96 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -62.31 -39.6 93.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 61.13 110.887 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -26.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 73.25 111.146 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.0 t -77.1 -31.43 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 75.1 111.095 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.24 -24.66 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 63.1 110.855 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.5 t -86.09 -45.34 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 63.24 111.135 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.5 mm -74.59 -22.65 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 73.01 111.105 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.482 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 2.9 mt-10 -52.01 -60.73 5.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.697 0.76 . . . . 72.25 110.87 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.667 ' HG3' HD13 ' A' ' 91' ' ' LEU . 53.1 Cg_endo -69.8 -24.87 29.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 73.33 112.337 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -31.18 71.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 53.12 110.945 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.46 -60.89 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 53.43 110.89 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -55.9 -25.45 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.51 110.91 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.54 -24.68 33.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.44 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -37.24 62.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 71.4 110.835 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.03 -21.61 40.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 74.33 110.889 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.01 -36.01 74.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 74.12 110.894 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.453 HG22 HD11 ' A' ' 16' ' ' LEU . 10.4 m -62.63 -18.79 62.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 71.35 111.134 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -100.01 -13.85 35.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 62.42 112.446 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.705 HD23 ' HD2' ' A' ' 80' ' ' LYS . 10.5 tp -91.06 -8.79 47.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.351 . . . . 74.53 110.89 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.408 HG21 ' HG2' ' A' ' 81' ' ' MET . 2.7 t -95.07 -31.86 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 51.12 111.109 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CD1' HD13 ' A' ' 16' ' ' LEU . 25.8 m-85 -97.8 1.17 48.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 65.01 110.866 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -118.82 -60.35 1.77 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.906 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.2 mt -142.24 75.13 20.25 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 74.01 110.901 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.36 17.48 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.699 2.266 . . . . 72.11 112.352 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.9 m -57.67 -22.6 46.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 61.33 111.15 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -176.16 -172.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 62.21 110.873 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.0 p -62.44 -17.22 58.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 64.04 110.861 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.77 29.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 65.32 112.46 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.61 -44.35 13.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 75.01 110.9 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.705 ' HD2' HD23 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -81.05 -33.43 33.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 74.24 110.912 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.489 ' SD ' HG23 ' A' ' 127' ' ' ILE . 17.4 mtt -69.46 -52.09 29.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 71.2 110.916 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 t -53.37 -28.88 31.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.145 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 87' ' ' VAL . 10.4 tt0 -79.32 -30.48 42.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.891 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -21.0 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 74.33 110.822 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.36 -41.07 20.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 75.02 110.911 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 t -62.1 -17.98 59.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 75.32 110.884 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 83' ' ' GLU . 58.2 t -65.39 -26.35 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 60.42 111.112 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 57.5 mt -85.99 -34.55 20.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 74.23 110.926 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 92' ' ' THR . 2.9 ttmt -77.43 -35.9 53.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 51.43 110.894 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.7 m -80.18 -19.92 45.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 63.42 110.873 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.667 HD13 ' HG3' ' A' ' 59' ' ' PRO . 1.6 tp -73.18 -48.3 36.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 72.1 110.913 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 89' ' ' LYS . 3.8 t -53.42 -27.47 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.45 111.168 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.76 -30.42 61.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 50.43 110.858 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -23.18 32.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 75.02 110.904 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.0 tp -83.11 -51.89 7.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 65.21 110.958 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -57.74 -26.71 62.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 74.31 110.931 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -12.93 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.85 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.509 HD13 ' CE2' ' A' ' 51' ' ' TYR . 1.6 tp -51.94 -24.31 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 64.04 111.126 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.607 HG22 ' HB2' ' A' ' 106' ' ' SER . 40.3 t -57.73 -19.71 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 71.23 111.137 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.5 tp10 -84.88 -19.75 31.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 64.44 110.899 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.651 ' HB3' HD12 ' A' ' 102' ' ' ILE . 1.1 mp -103.85 -55.43 2.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 71.54 110.933 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.651 HD12 ' HB3' ' A' ' 101' ' ' LEU . 2.8 mp -138.03 81.36 27.34 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.607 0.718 . . . . 61.32 111.138 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 -3.55 12.25 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 65.42 112.308 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.63 -35.54 75.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.882 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.8 p -90.71 -15.48 30.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 71.42 111.12 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.607 ' HB2' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -52.79 -24.04 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 71.04 110.835 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -59.14 -18.42 35.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 74.52 110.816 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.505 ' O ' HG22 ' A' ' 112' ' ' ILE . . . -82.05 -14.16 56.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.33 111.115 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.547 ' N ' ' HD2' ' A' ' 110' ' ' PRO . 2.1 t -46.51 -57.46 8.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.677 0.751 . . . . 53.53 111.125 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 109' ' ' VAL . 54.3 Cg_endo -69.73 -14.16 35.78 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.7 2.267 . . . . 73.21 112.363 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.38 -61.36 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 65.11 110.914 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 108' ' ' ALA . 9.7 tt -76.95 -21.99 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 71.23 111.126 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.99 -26.9 12.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.658 -0.782 . . . . 45.42 112.491 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -60.54 -32.88 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.342 . . . . 74.05 110.89 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 33' ' ' ALA . 47.0 m-85 -85.42 -32.54 22.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 63.13 110.852 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 3.5 mtp -51.78 -65.19 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 75.41 110.88 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.12 -24.89 67.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 70.14 110.932 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -51.96 -62.04 1.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 71.55 110.858 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.678 ' O ' HG23 ' A' ' 123' ' ' VAL . 16.9 p -67.32 -38.07 84.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 75.21 111.173 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -54.55 -27.86 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 72.23 110.888 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -84.09 -26.45 28.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 72.35 110.88 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -84.53 -26.34 28.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 73.35 110.855 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 119' ' ' THR . 94.2 t -56.09 -25.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 73.11 111.095 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -60.99 -24.68 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 65.53 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.3 t -53.43 -34.91 59.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 65.11 110.858 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.732 ' HA ' HG21 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -52.01 -51.16 59.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 73.1 110.88 -179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.489 HG23 ' SD ' ' A' ' 81' ' ' MET . 1.8 mp -83.98 -24.03 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 64.24 111.155 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -33.07 69.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 65.44 110.956 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.16 -57.41 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 70.24 111.139 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . 0.743 ' O ' HG23 ' A' ' 134' ' ' ILE . 1.3 p -58.0 -22.53 50.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.24 111.151 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.05 -18.47 46.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 65.13 110.86 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.59 -25.59 28.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.13 -25.18 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 62.4 111.118 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.743 HG23 ' O ' ' A' ' 130' ' ' THR . 1.4 pp -68.49 -22.56 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 74.4 111.123 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -31.07 33.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 71.01 110.882 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.97 -36.49 11.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 74.02 111.118 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -36.14 80.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 52.52 110.881 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -67.23 -50.45 60.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.868 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -54.77 -73.99 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 72.22 110.905 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 72.21 110.862 -179.838 . . . . . . . . 0 0 . 1 stop_ save_