data_1edj_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 1edj _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 119.853 -0.118 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -56.44 -49.43 74.59 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.015 0.926 . . . . 0.0 111.477 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -60.03 -46.2 90.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.537 0.735 . . . . 0.0 111.124 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.74 -50.09 74.86 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.844 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.05 -42.2 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.807 0.843 . . . . 0.0 111.153 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.2 mt -57.87 -52.96 63.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.285 0.493 . . . . 0.0 110.044 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -82.29 62.72 6.13 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.819 0.848 . . . . 0.0 110.785 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.8 mmt -114.76 92.7 30.71 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 169.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.1 -20.04 25.58 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.283 2.656 . . . . 0.0 113.342 -169.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -89.06 -29.27 19.55 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.317 0.508 . . . . 0.0 110.186 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.13 147.21 48.63 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -89.45 163.55 15.21 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 169.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.33 -55.55 8.58 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.673 1.189 . . . . 0.0 112.751 -171.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -50.23 -42.86 52.5 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.761 0.824 . . . . 0.0 112.837 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -68.18 -56.18 9.66 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 122.651 0.38 . . . . 0.0 110.858 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -60.69 -39.28 87.9 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -60.58 -43.81 96.91 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.5 0.72 . . . . 0.0 110.29 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.84 -50.97 41.85 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -64.38 -36.3 83.71 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.843 -0.598 . . . . 0.0 112.419 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.43 -49.14 84.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 119.276 0.944 . . . . 0.0 110.025 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -62.59 -36.82 83.95 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.833 0.288 . . . . 0.0 111.242 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -62.46 -40.17 95.77 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.085 0.402 . . . . 0.0 111.08 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.99 -54.89 39.38 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.111 0.965 . . . . 0.0 109.137 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -53.55 -47.31 70.15 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.037 0.935 . . . . 0.0 111.355 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.98 -42.58 84.87 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.901 0.88 . . . . 0.0 111.694 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -122.2 74.39 39.77 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 125.168 1.387 . . . . 0.0 109.42 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.15 -37.52 31.84 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.27 2.646 . . . . 0.0 111.768 -174.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.6 p -60.69 -28.18 68.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.174 0.59 . . . . 0.0 111.872 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -98.17 25.35 6.23 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.056 0.942 . . . . 0.0 112.132 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -55.89 -38.16 69.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.701 0.682 . . . . 0.0 111.979 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.03 88.16 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.664 0.786 . . . . 0.0 111.347 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -63.36 -51.17 67.0 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 123.28 0.632 . . . . 0.0 110.432 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.23 -46.6 68.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.53 1.132 . . . . 0.0 110.703 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.22 -47.24 86.09 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.98 0.912 . . . . 0.0 110.586 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.61 -51.53 54.22 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.777 0.703 . . . . 0.0 111.642 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.77 -47.68 83.86 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.385 1.074 . . . . 0.0 110.837 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.59 -47.29 86.17 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.519 0.728 . . . . 0.0 111.535 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -65.05 -42.36 94.33 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.374 0.67 . . . . 0.0 110.918 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -62.2 -44.53 96.38 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.381 0.672 . . . . 0.0 110.499 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.67 -46.73 81.19 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.65 0.38 . . . . 0.0 110.077 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -55.0 -47.05 75.16 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.22 1.008 . . . . 0.0 110.825 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.64 -50.24 74.32 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.045 0.938 . . . . 0.0 111.049 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.3 p -62.17 -34.46 76.45 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.78 0.432 . . . . 0.0 111.858 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 123.888 0.875 . . . . 0.0 111.933 178.907 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 CA-C-O 119.891 -0.099 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -53.65 -54.65 34.72 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.364 1.066 . . . . 0.0 111.006 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -61.84 -50.93 70.3 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 122.924 0.49 . . . . 0.0 110.788 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -55.18 -49.07 72.81 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.505 0.722 . . . . 0.0 112.041 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.23 -41.09 91.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 122.954 0.501 . . . . 0.0 111.975 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.92 -41.07 99.34 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.442 0.564 . . . . 0.0 110.243 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -83.32 58.49 4.52 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.475 1.11 . . . . 0.0 110.399 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.6 mmt -118.39 133.81 23.48 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 124.938 1.295 . . . . 0.0 108.495 175.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.69 -43.76 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.046 2.497 . . . . 0.0 112.648 -174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -89.8 -29.14 18.85 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.966 0.506 . . . . 0.0 112.293 -169.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.8 133.93 53.02 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.462 0.574 . . . . 0.0 110.713 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -89.64 170.07 10.78 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.576 0.751 . . . . 0.0 109.257 169.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.36 -56.47 8.04 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.967 1.307 . . . . 0.0 112.649 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -51.1 -45.28 61.45 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.582 0.753 . . . . 0.0 111.846 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.65 -62.53 1.4 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.809 0.844 . . . . 0.0 110.789 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -61.89 -48.25 81.34 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.04 0.536 . . . . 0.0 111.648 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -63.54 -40.6 97.44 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.119 0.568 . . . . 0.0 110.561 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.21 -50.45 55.83 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.12 -36.05 82.31 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.988 0.394 . . . . 0.0 111.529 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.96 -43.66 92.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 118.55 0.614 . . . . 0.0 110.938 173.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -63.17 -37.47 87.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.591 0.632 . . . . 0.0 110.954 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 t -61.5 -41.52 97.41 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.192 0.451 . . . . 0.0 110.86 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -54.13 50.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.003 0.921 . . . . 0.0 109.777 177.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -56.16 -46.92 79.12 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.589 1.156 . . . . 0.0 110.899 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.15 -49.25 78.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.327 1.051 . . . . 0.0 111.303 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -131.36 91.69 34.32 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.864 0.866 . . . . 0.0 109.619 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -46.19 -38.27 19.51 Favored 'Trans proline' 0 N--CA 1.46 -0.478 1 C-N-CA 125.43 4.086 . . . . 0.0 115.444 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.4 p -56.79 -25.73 56.15 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.505 0.722 . . . . 0.0 112.806 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -89.65 36.59 0.85 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.982 0.913 . . . . 0.0 111.521 -173.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.7 p -69.4 -54.0 16.59 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.695 0.679 . . . . 0.0 110.078 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.31 -41.7 85.1 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.353 1.061 . . . . 0.0 111.023 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -60.79 -53.05 62.07 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.697 0.799 . . . . 0.0 110.544 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 t -54.45 -49.61 64.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 C-N-CA 124.702 1.201 . . . . 0.0 111.016 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.6 -50.26 73.72 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.964 0.906 . . . . 0.0 110.05 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.74 -59.5 10.71 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.548 1.07 . . . . 0.0 112.4 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.2 -37.94 87.24 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 117.439 0.619 . . . . 0.0 111.506 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.89 67.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.247 0.619 . . . . 0.0 110.932 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -62.17 -40.32 95.63 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.915 0.486 . . . . 0.0 110.924 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.82 -49.01 78.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.663 0.785 . . . . 0.0 110.543 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.75 -42.88 97.77 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.212 0.605 . . . . 0.0 110.372 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.06 -52.56 64.8 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.077 0.951 . . . . 0.0 110.205 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.48 -48.42 80.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.538 1.135 . . . . 0.0 111.246 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.1 p -60.55 -34.97 74.91 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.05 0.54 . . . . 0.0 111.433 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.515 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 119.846 -0.121 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -54.19 -49.43 69.36 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.541 0.736 . . . . 0.0 111.268 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -60.87 -47.47 86.22 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.414 0.685 . . . . 0.0 111.32 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -57.93 -50.81 72.07 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.748 0.419 . . . . 0.0 110.835 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.32 -42.19 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 123.223 0.609 . . . . 0.0 111.153 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -40.7 83.62 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.247 0.476 . . . . 0.0 111.356 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -71.03 -68.35 0.44 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.246 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.3 mtt -5.56 85.37 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 C-N-CA 129.069 2.948 . . . . 0.0 114.275 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -52.76 -28.39 38.03 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 124.848 3.699 . . . . 0.0 116.155 -170.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -88.71 -16.77 31.43 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.518 0.599 . . . . 0.0 111.723 -170.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.74 154.85 41.05 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.505 0.593 . . . . 0.0 110.078 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -96.4 177.22 5.77 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 168.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.04 -56.82 16.75 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.504 0.722 . . . . 0.0 111.32 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -52.67 -46.44 67.2 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.756 0.823 . . . . 0.0 111.644 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.47 -59.52 5.26 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.828 0.851 . . . . 0.0 111.173 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -62.54 -41.92 99.2 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 117.998 0.363 . . . . 0.0 111.578 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -62.03 -41.15 97.8 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.034 0.534 . . . . 0.0 110.681 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.09 -50.73 58.02 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -65.06 -36.91 85.84 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.993 -0.527 . . . . 0.0 111.867 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.6 -45.41 97.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 119.11 0.868 . . . . 0.0 110.231 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -62.69 -39.04 92.71 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.097 0.408 . . . . 0.0 111.0 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -61.9 -42.38 99.01 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.844 0.458 . . . . 0.0 111.011 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.53 -54.82 38.1 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.742 1.217 . . . . 0.0 109.255 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.68 -45.37 73.91 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.38 1.472 . . . . 0.0 111.233 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.95 -45.58 67.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.621 0.768 . . . . 0.0 111.263 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -120.4 76.02 25.03 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 109.54 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.36 -36.73 33.95 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.99 2.46 . . . . 0.0 111.36 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.5 p -55.85 -30.03 60.82 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.847 0.859 . . . . 0.0 112.176 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.91 15.61 21.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.256 1.023 . . . . 0.0 111.9 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 t -55.41 -35.43 65.35 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.139 0.881 . . . . 0.0 112.446 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.29 95.78 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.572 0.749 . . . . 0.0 111.258 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.13 -47.01 78.62 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.138 0.575 . . . . 0.0 110.254 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.4 t -55.51 -48.33 77.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 124.594 1.158 . . . . 0.0 110.441 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 tp -55.7 -47.43 76.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.591 0.756 . . . . 0.0 110.329 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.67 -60.33 8.83 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.075 0.845 . . . . 0.0 112.247 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -64.42 -35.38 80.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.282 0.541 . . . . 0.0 112.092 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.16 81.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.839 0.456 . . . . 0.0 110.651 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -63.17 -39.11 93.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.533 0.733 . . . . 0.0 110.618 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -61.12 -46.51 90.28 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.174 0.59 . . . . 0.0 110.413 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.74 -44.12 91.16 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.469 0.308 . . . . 0.0 110.692 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -54.41 -54.46 40.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.894 0.877 . . . . 0.0 110.096 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.34 -48.63 79.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.495 1.118 . . . . 0.0 111.528 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.4 p -60.52 -31.84 70.9 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.61 0.764 . . . . 0.0 111.861 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -56.36 -52.06 65.98 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.164 0.986 . . . . 0.0 111.111 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -58.18 -45.83 86.85 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.128 0.571 . . . . 0.0 110.654 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -59.15 -49.05 79.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.263 0.625 . . . . 0.0 111.343 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.05 -40.17 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.296 0.638 . . . . 0.0 111.278 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.67 -41.24 96.22 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.365 0.529 . . . . 0.0 111.214 173.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -67.19 -36.85 82.61 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.57 0.748 . . . . 0.0 112.552 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.9 mtt -50.05 113.21 3.25 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 124.62 1.168 . . . . 0.0 110.979 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.83 -26.15 4.76 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.95 2.433 . . . . 0.0 113.76 -169.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -88.96 -13.25 39.39 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 118.722 0.692 . . . . 0.0 112.561 -169.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.19 147.27 51.55 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.469 0.577 . . . . 0.0 109.772 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -89.92 175.29 7.26 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.56 -54.77 41.98 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.606 0.763 . . . . 0.0 111.37 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.83 -45.7 74.49 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.884 0.874 . . . . 0.0 111.449 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.76 -60.83 3.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.187 0.995 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -60.34 -42.88 96.58 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 119.256 -0.402 . . . . 0.0 110.947 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -59.92 -44.25 94.42 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.537 0.735 . . . . 0.0 110.854 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.18 -52.8 44.72 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -58.68 -51.51 69.62 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.19 0.596 . . . . 0.0 111.246 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.6 mt -50.44 -54.72 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.942 1.297 . . . . 0.0 110.798 178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -64.02 -44.53 92.29 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.133 0.573 . . . . 0.0 111.346 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -54.31 -45.33 72.57 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.97 0.508 . . . . 0.0 110.58 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -46.27 82.84 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.073 0.949 . . . . 0.0 110.848 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.33 -44.77 80.33 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.067 0.947 . . . . 0.0 110.526 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -65.51 -45.78 82.21 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.732 0.813 . . . . 0.0 110.799 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -120.46 78.12 27.72 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 124.796 1.238 . . . . 0.0 109.763 -174.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -62.89 -25.81 74.37 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.539 2.826 . . . . 0.0 112.61 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -54.07 -31.64 52.31 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.867 0.867 . . . . 0.0 112.3 173.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -89.55 39.49 0.95 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.924 0.89 . . . . 0.0 111.417 -173.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.0 m -63.09 -60.27 3.66 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 122.837 0.455 . . . . 0.0 110.389 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.55 89.89 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.794 0.838 . . . . 0.0 111.605 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -62.2 -58.98 5.76 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.752 0.821 . . . . 0.0 110.528 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.0 t -58.6 -42.04 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.277 0.631 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.28 -49.87 73.01 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.316 0.647 . . . . 0.0 109.798 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.85 -57.12 20.46 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.039 0.828 . . . . 0.0 111.64 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.57 -49.09 68.47 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.306 1.042 . . . . 0.0 111.23 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.36 97.18 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.937 0.895 . . . . 0.0 111.443 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.24 -39.83 93.24 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.609 0.364 . . . . 0.0 110.931 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -61.75 -45.66 92.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.142 0.428 . . . . 0.0 110.323 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.5 -43.04 95.36 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.654 0.382 . . . . 0.0 110.799 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -59.53 -49.85 76.2 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.494 1.117 . . . . 0.0 110.74 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.39 -49.44 76.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.632 1.173 . . . . 0.0 111.139 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.0 p -61.26 -31.31 71.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.0 0.52 . . . . 0.0 111.98 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 CA--C 1.536 0.44 0 C-N-CA 123.614 0.766 . . . . 0.0 112.243 177.681 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.64 -49.67 67.39 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.62 0.768 . . . . 0.0 111.248 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.45 -53.34 59.22 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.978 0.911 . . . . 0.0 111.119 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.75 -43.75 98.23 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 119.087 -0.482 . . . . 0.0 111.706 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.1 t -54.77 -40.2 50.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 118.561 0.619 . . . . 0.0 111.061 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.73 -53.85 29.06 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.113 0.415 . . . . 0.0 110.234 172.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -83.36 64.72 7.96 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.631 1.172 . . . . 0.0 110.81 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.7 mtt -139.19 89.77 12.21 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 125.094 1.358 . . . . 0.0 108.834 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.33 -28.31 42.74 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.924 3.749 . . . . 0.0 115.948 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -88.59 -20.62 24.76 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 118.771 0.714 . . . . 0.0 111.36 -169.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.24 171.72 10.57 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 170.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -119.37 175.96 5.57 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.53 1.132 . . . . 0.0 109.29 170.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.52 -55.94 21.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.341 1.056 . . . . 0.0 111.466 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.14 -47.06 75.61 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.695 0.798 . . . . 0.0 111.426 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.21 -55.71 19.74 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.877 0.871 . . . . 0.0 111.475 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -62.82 -40.93 98.92 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 117.848 0.295 . . . . 0.0 111.138 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.1 -43.08 99.43 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.365 0.666 . . . . 0.0 110.339 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.99 -49.44 58.92 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -64.12 -39.92 95.07 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.903 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -58.82 -45.0 91.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.297 0.953 . . . . 0.0 110.37 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -64.04 -40.65 96.76 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 119.251 -0.404 . . . . 0.0 111.057 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -58.62 -41.68 86.45 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.462 0.574 . . . . 0.0 110.624 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -46.43 90.23 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.828 1.251 . . . . 0.0 110.058 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.23 -42.56 95.49 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.418 1.087 . . . . 0.0 110.735 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.45 -39.73 92.39 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.909 0.884 . . . . 0.0 111.173 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -131.58 77.61 72.81 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 123.917 0.887 . . . . 0.0 110.728 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.45 -41.43 76.95 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 124.427 3.418 . . . . 0.0 113.325 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.2 p -62.06 -35.74 79.54 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.739 0.816 . . . . 0.0 112.043 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -89.8 39.22 0.95 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.619 0.768 . . . . 0.0 110.897 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -61.8 -44.65 96.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.335 1.054 . . . . 0.0 110.595 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.0 82.3 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.443 1.097 . . . . 0.0 111.775 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -64.71 -51.88 60.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.937 0.495 . . . . 0.0 110.359 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.09 -45.09 76.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.92 0.888 . . . . 0.0 110.538 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.61 -45.66 91.29 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.626 0.77 . . . . 0.0 110.165 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.83 -50.93 52.41 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.818 0.723 . . . . 0.0 111.845 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.94 -44.61 94.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.159 0.583 . . . . 0.0 110.958 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.77 99.59 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.61 0.764 . . . . 0.0 111.91 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.11 -50.31 73.92 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.267 1.027 . . . . 0.0 110.115 174.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.05 -48.24 82.32 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.111 0.564 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.36 -47.34 76.75 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.391 0.276 . . . . 0.0 110.714 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -57.82 -47.61 82.13 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.297 1.039 . . . . 0.0 111.034 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.98 -50.77 69.45 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.292 1.037 . . . . 0.0 111.135 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.7 p -60.05 -34.37 73.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.993 0.517 . . . . 0.0 111.705 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 123.7 0.8 . . . . 0.0 112.353 178.446 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 119.711 -0.185 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -56.99 -50.45 72.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.367 0.667 . . . . 0.0 111.297 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -60.95 -44.62 97.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.272 0.629 . . . . 0.0 111.259 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -61.24 -47.22 87.04 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.95 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.0 -39.86 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.664 0.786 . . . . 0.0 111.241 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.04 -50.98 71.6 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.555 0.616 . . . . 0.0 110.125 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -81.6 68.81 8.09 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.856 0.862 . . . . 0.0 110.602 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.5 mmt -122.94 93.51 48.28 Favored Pre-proline 0 CA--C 1.533 0.317 0 C-N-CA 125.411 1.484 . . . . 0.0 108.431 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.71 -38.08 55.4 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 124.604 3.536 . . . . 0.0 114.997 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -89.38 -30.37 18.43 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.714 -170.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.91 145.45 55.9 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.31 0.505 . . . . 0.0 111.038 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -89.27 170.73 10.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.9 -52.83 56.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.897 0.879 . . . . 0.0 111.656 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -53.58 -48.08 69.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.681 0.792 . . . . 0.0 111.351 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -61.43 -57.93 10.25 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.847 0.859 . . . . 0.0 111.646 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -64.5 -40.81 96.35 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -62.37 -39.35 92.88 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.22 0.463 . . . . 0.0 110.559 173.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.2 -51.98 43.3 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 173.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -63.88 -39.55 94.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.725 -0.655 . . . . 0.0 111.964 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.41 -49.18 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 119.242 0.928 . . . . 0.0 110.242 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -64.13 -37.67 88.28 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.936 0.495 . . . . 0.0 111.346 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -60.76 -44.03 97.24 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.746 0.419 . . . . 0.0 110.609 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -48.33 79.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.323 1.049 . . . . 0.0 109.918 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.46 -45.4 84.82 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.855 1.262 . . . . 0.0 110.666 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.58 -45.12 80.31 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.052 0.941 . . . . 0.0 111.138 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -118.58 77.01 13.8 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 125.111 1.364 . . . . 0.0 109.704 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.45 -29.84 62.24 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.004 2.469 . . . . 0.0 111.617 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.6 p -59.64 -34.59 73.0 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.084 0.954 . . . . 0.0 111.615 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -89.72 41.39 1.04 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.019 0.927 . . . . 0.0 110.746 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.6 t -63.97 -56.54 14.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.114 0.566 . . . . 0.0 110.52 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.68 94.04 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.119 0.968 . . . . 0.0 111.544 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.09 -53.53 54.11 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.737 0.815 . . . . 0.0 110.75 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -58.45 -45.36 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 123.785 0.834 . . . . 0.0 110.452 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.16 -46.32 75.75 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.158 0.583 . . . . 0.0 110.718 174.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -62.32 6.46 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.152 0.882 . . . . 0.0 111.611 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.68 -34.23 74.02 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 117.331 0.566 . . . . 0.0 112.199 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.43 83.97 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 122.725 0.41 . . . . 0.0 110.847 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -64.69 -37.16 86.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.574 0.35 . . . . 0.0 111.179 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.7 -49.1 77.82 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.359 0.527 . . . . 0.0 110.531 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.36 -39.2 93.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.84 0.291 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -58.8 -62.28 1.99 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.111 0.964 . . . . 0.0 109.934 174.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.36 -50.08 65.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.417 1.487 . . . . 0.0 112.103 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.0 p -58.56 -32.9 69.34 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.762 0.825 . . . . 0.0 112.241 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 177.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 111.228 0.085 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -57.31 -50.85 71.63 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.507 0.723 . . . . 0.0 111.22 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -60.11 -48.13 82.99 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.414 0.685 . . . . 0.0 110.706 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -54.01 -51.13 64.95 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.574 0.749 . . . . 0.0 111.12 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.7 t -57.45 -43.76 83.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.288 0.494 . . . . 0.0 111.104 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.85 -41.1 99.22 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.164 0.438 . . . . 0.0 111.926 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -77.87 -37.13 48.86 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.462 0.705 . . . . 0.0 112.82 -174.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.4 mtm -57.12 117.74 19.83 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 123.58 0.752 . . . . 0.0 111.279 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -75.92 -30.33 6.01 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.704 2.936 . . . . 0.0 113.909 -168.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -89.36 37.77 0.87 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.862 0.756 . . . . 0.0 110.646 -171.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.4 mt -122.86 141.17 52.17 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.884 1.674 . . . . 0.0 106.67 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -89.57 176.27 6.95 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 170.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.33 -55.35 32.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.395 0.678 . . . . 0.0 111.251 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -54.97 -43.2 73.29 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.398 0.679 . . . . 0.0 111.552 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -62.01 -61.27 2.6 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.156 0.582 . . . . 0.0 111.029 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -61.68 -44.23 97.34 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.989 0.358 . . . . 0.0 111.708 -173.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -62.85 -44.01 97.28 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 122.531 0.332 . . . . 0.0 110.436 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.68 -51.16 45.93 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -59.23 -46.7 87.77 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.676 0.791 . . . . 0.0 111.337 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -56.72 -45.59 82.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.026 0.53 . . . . 0.0 110.627 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -48.39 82.03 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.928 0.891 . . . . 0.0 111.211 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 m -55.07 -46.51 75.42 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.159 0.584 . . . . 0.0 111.3 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -51.74 63.73 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.628 0.771 . . . . 0.0 110.039 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.52 -43.39 75.68 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.292 1.437 . . . . 0.0 111.02 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.05 -45.94 91.19 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.582 1.153 . . . . 0.0 111.224 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -133.27 87.99 36.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 123.603 0.761 . . . . 0.0 109.593 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.96 -31.92 21.7 Favored 'Trans proline' 0 C--N 1.348 0.504 1 C-N-CA 125.434 4.089 . . . . 0.0 115.435 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.9 p -56.08 -24.67 41.45 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.911 0.884 . . . . 0.0 112.782 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -89.1 37.02 0.83 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.097 0.959 . . . . 0.0 110.984 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.8 m -64.3 -60.18 3.49 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.222 0.609 . . . . 0.0 109.817 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.61 87.83 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.162 0.985 . . . . 0.0 111.475 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -61.61 -57.78 10.68 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.559 0.743 . . . . 0.0 110.622 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.71 -43.42 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 123.209 0.604 . . . . 0.0 110.546 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -55.28 -49.58 71.75 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.99 0.516 . . . . 0.0 110.343 175.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.86 -55.43 29.08 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.994 0.806 . . . . 0.0 111.621 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -54.1 -54.59 37.36 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.305 1.042 . . . . 0.0 110.879 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.41 87.7 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.264 1.025 . . . . 0.0 111.929 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.25 -43.88 73.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.277 0.631 . . . . 0.0 111.076 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -60.51 -44.0 96.49 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.914 0.486 . . . . 0.0 110.124 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 tp -61.83 -51.53 67.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.504 0.322 . . . . 0.0 110.456 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.62 -49.85 69.51 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.33 1.052 . . . . 0.0 110.85 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.29 -49.55 77.17 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.518 1.127 . . . . 0.0 111.212 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.9 p -64.14 -35.92 82.37 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.037 0.535 . . . . 0.0 111.823 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 . . . . . 0 CA--C 1.534 0.36 0 C-N-CA 123.479 0.711 . . . . 0.0 109.975 -179.092 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 119.973 -0.06 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -54.98 -51.07 67.35 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.578 0.751 . . . . 0.0 111.485 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -58.66 -52.84 63.99 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 122.803 0.441 . . . . 0.0 111.206 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -60.93 -43.26 98.9 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.593 -175.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t -52.33 -41.87 36.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 118.389 0.541 . . . . 0.0 110.832 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -69.31 -43.34 73.96 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.021 0.373 . . . . 0.0 111.576 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -61.49 -43.86 98.11 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.118 0.967 . . . . 0.0 112.901 -174.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.3 mtt -45.69 110.62 1.18 Allowed Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 125.823 1.649 . . . . 0.0 112.171 -174.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -46.98 -42.39 25.51 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 125.058 3.839 . . . . 0.0 115.892 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -89.08 -2.35 58.51 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -170.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 mt -90.51 114.57 26.79 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -88.77 -176.19 5.15 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.96 -55.89 10.51 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.734 0.814 . . . . 0.0 111.647 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -50.63 -51.46 48.61 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.604 0.762 . . . . 0.0 111.492 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -64.45 -63.28 1.17 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.264 0.626 . . . . 0.0 111.325 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.52 -43.35 97.21 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.262 0.625 . . . . 0.0 112.139 -172.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -64.54 -36.45 84.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.234 0.47 . . . . 0.0 110.741 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.89 -52.67 51.53 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 174.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -59.79 -43.54 94.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.475 0.71 . . . . 0.0 111.091 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.1 mt -57.63 -41.8 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 123.807 0.843 . . . . 0.0 110.603 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -50.28 74.45 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.6 0.76 . . . . 0.0 109.986 176.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.2 m -56.07 -45.36 79.33 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.832 0.453 . . . . 0.0 111.011 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.43 -42.35 96.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.013 0.925 . . . . 0.0 110.92 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -61.24 -46.1 91.82 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.938 0.895 . . . . 0.0 110.088 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.48 -37.45 87.6 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.746 0.819 . . . . 0.0 111.201 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.81 82.35 67.03 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 123.917 0.887 . . . . 0.0 110.393 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.95 -37.07 66.55 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 124.329 3.353 . . . . 0.0 112.935 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 p -53.57 -33.32 54.35 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.064 1.345 . . . . 0.0 112.569 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -89.35 42.66 1.1 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.999 0.919 . . . . 0.0 110.973 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -64.66 -58.6 5.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.105 0.562 . . . . 0.0 109.988 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.07 86.24 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.311 1.044 . . . . 0.0 111.637 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -63.83 -54.25 37.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.497 0.719 . . . . 0.0 110.645 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.5 t -57.88 -46.95 87.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.264 0 C-N-CA 123.193 0.597 . . . . 0.0 110.3 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp -52.76 -47.69 67.31 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.843 0.857 . . . . 0.0 110.608 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.65 -60.75 8.43 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.454 1.026 . . . . 0.0 112.104 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.08 -36.49 84.2 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.477 0.638 . . . . 0.0 112.109 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.81 76.92 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.216 0.607 . . . . 0.0 110.354 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -64.18 -38.04 89.62 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 122.756 0.423 . . . . 0.0 110.736 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -44.06 97.74 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.081 0.4 . . . . 0.0 110.461 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.18 -47.63 79.06 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.864 0.465 . . . . 0.0 110.575 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -56.49 -48.18 77.69 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.138 0.575 . . . . 0.0 110.572 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.08 -46.99 88.41 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.244 1.418 . . . . 0.0 111.58 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.4 p -66.22 -20.58 66.17 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.968 0.507 . . . . 0.0 112.2 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 123.928 0.891 . . . . 0.0 110.184 173.711 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 119.651 -0.214 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -57.01 -51.21 70.17 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.035 0.934 . . . . 0.0 111.528 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.04 -49.41 75.89 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.261 1.824 . . . . 0.0 111.085 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -67.99 -44.34 76.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.647 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 t -52.62 -45.76 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.595 0.758 . . . . 0.0 110.627 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.8 mt -63.01 -51.34 67.18 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.465 0.306 . . . . 0.0 110.638 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -82.75 63.64 6.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.024 0.929 . . . . 0.0 111.139 -173.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.8 mtt -138.08 119.7 10.59 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.676 1.59 . . . . 0.0 107.41 175.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.1 -32.75 10.41 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 123.356 2.704 . . . . 0.0 113.515 -169.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -89.2 -15.85 32.72 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.198 0.454 . . . . 0.0 111.859 -170.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.8 127.88 34.23 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.482 0.583 . . . . 0.0 109.858 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -89.18 168.11 12.56 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 171.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.45 -56.24 5.25 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.964 1.306 . . . . 0.0 112.745 -172.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.78 -45.32 67.1 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.767 0.827 . . . . 0.0 111.855 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -66.41 -57.78 6.69 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.516 0.726 . . . . 0.0 111.126 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -61.61 -41.26 97.2 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.555 -0.259 . . . . 0.0 111.605 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.04 -45.48 92.7 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.323 0.649 . . . . 0.0 110.16 173.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.96 -51.15 41.68 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -62.51 -36.38 82.36 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 118.942 -0.552 . . . . 0.0 112.006 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.9 -43.33 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 119.157 0.889 . . . . 0.0 110.354 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -61.7 -43.39 98.95 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.664 0.665 . . . . 0.0 110.738 175.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -59.01 -44.61 91.73 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.1 0.56 . . . . 0.0 111.316 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.54 -57.83 11.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.518 1.127 . . . . 0.0 109.241 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -53.1 -45.54 68.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.144 1.378 . . . . 0.0 111.986 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.02 -46.49 71.09 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.935 0.894 . . . . 0.0 111.201 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -118.83 78.65 16.13 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 125.005 1.322 . . . . 0.0 109.416 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.08 -32.69 63.78 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.144 2.563 . . . . 0.0 111.576 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.8 p -56.34 -39.88 73.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.24 1.016 . . . . 0.0 111.302 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -89.97 30.61 1.05 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.305 1.042 . . . . 0.0 111.605 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.3 p -62.58 -51.35 67.68 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.846 0.748 . . . . 0.0 110.945 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.75 91.67 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.053 0.941 . . . . 0.0 111.463 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.0 -51.3 70.67 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.271 0.628 . . . . 0.0 110.45 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.3 t -57.63 -40.19 73.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 124.249 1.02 . . . . 0.0 111.057 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.86 -51.37 69.32 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 173.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.32 -51.19 52.78 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.252 0.929 . . . . 0.0 112.417 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -58.64 -46.85 86.23 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.259 1.024 . . . . 0.0 111.023 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.96 95.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.773 0.829 . . . . 0.0 111.241 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -63.81 -41.7 97.82 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.697 0.799 . . . . 0.0 110.742 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -61.57 -48.37 81.26 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.64 0.776 . . . . 0.0 110.391 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 tp -63.74 -43.69 95.75 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.74 0.416 . . . . 0.0 110.479 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -57.0 -51.04 70.84 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.647 0.779 . . . . 0.0 110.585 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.87 -47.52 85.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.57 1.148 . . . . 0.0 111.212 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.7 p -59.96 -33.43 71.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.837 0.455 . . . . 0.0 111.611 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 . . . . . 0 CA--C 1.536 0.422 0 C-N-CA 124.146 0.978 . . . . 0.0 112.353 178.784 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -62.68 -48.15 80.56 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.343 0.52 . . . . 0.0 110.301 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -54.08 -51.47 64.04 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.073 0.549 . . . . 0.0 110.352 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -57.78 -57.51 12.43 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.519 0.728 . . . . 0.0 110.563 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -52.2 -44.14 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 125.025 1.33 . . . . 0.0 111.811 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.56 -50.38 74.01 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.178 0.444 . . . . 0.0 110.401 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -84.35 65.55 8.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.851 0.86 . . . . 0.0 110.781 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.5 mmt -121.82 84.95 44.38 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 124.938 1.295 . . . . 0.0 107.834 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.22 -19.77 33.5 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.233 2.622 . . . . 0.0 113.439 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -89.13 -28.88 19.76 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.393 0.542 . . . . 0.0 110.384 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.7 mt -71.2 169.42 15.16 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 122.747 0.419 . . . . 0.0 110.159 170.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -110.95 -167.86 1.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.69 0.796 . . . . 0.0 109.244 169.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.56 -57.92 10.7 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.999 0.919 . . . . 0.0 112.26 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.99 -42.94 86.18 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.157 0.889 . . . . 0.0 112.024 -170.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -61.41 -60.62 3.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.014 0.926 . . . . 0.0 110.729 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -59.83 -44.81 93.86 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -63.02 -34.52 77.73 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 122.805 0.442 . . . . 0.0 111.29 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.6 -47.41 57.75 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 170.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -68.54 -32.74 72.89 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.366 -0.826 . . . . 0.0 112.584 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.1 mt -60.07 -49.43 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 119.792 1.178 . . . . 0.0 109.55 173.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -60.85 -40.26 92.21 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.741 0.416 . . . . 0.0 110.895 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 t -61.34 -41.03 96.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.758 0.423 . . . . 0.0 111.205 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.28 -55.03 36.53 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.168 0.987 . . . . 0.0 109.192 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -53.12 -46.3 68.71 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.641 1.176 . . . . 0.0 110.855 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.42 -45.48 76.0 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.833 0.853 . . . . 0.0 111.54 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -123.55 76.2 54.67 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 124.76 1.224 . . . . 0.0 110.381 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -66.54 -28.43 45.4 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.219 2.613 . . . . 0.0 111.429 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -58.1 -39.45 78.66 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.867 0.867 . . . . 0.0 111.057 170.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -94.43 22.5 6.04 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.062 0.945 . . . . 0.0 112.34 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -53.11 -39.95 63.81 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.137 0.88 . . . . 0.0 112.236 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.73 86.16 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.433 0.693 . . . . 0.0 111.479 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -62.65 -50.11 72.49 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.085 0.554 . . . . 0.0 110.188 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -53.2 -46.49 56.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.427 1.091 . . . . 0.0 111.067 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 tt -56.28 -55.33 34.67 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.681 1.192 . . . . 0.0 109.525 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.27 -51.86 48.08 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.114 0.864 . . . . 0.0 112.369 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -60.05 -47.36 86.19 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.697 1.199 . . . . 0.0 111.074 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.12 82.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.283 0.633 . . . . 0.0 111.054 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -65.55 -38.28 89.13 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.529 0.332 . . . . 0.0 111.328 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.73 -46.04 87.17 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.09 0.556 . . . . 0.0 110.425 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.31 -48.94 77.63 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.115 0.566 . . . . 0.0 109.851 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -54.66 -49.61 70.18 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.906 1.282 . . . . 0.0 111.035 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.46 -50.21 74.48 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.539 1.135 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.9 p -60.75 -35.34 76.16 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.794 0.438 . . . . 0.0 111.59 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 . . . . . 0 CA--C 1.537 0.459 0 C-N-CA 123.968 0.907 . . . . 0.0 112.28 179.051 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.351 0.12 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.18 -52.31 64.84 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.623 1.169 . . . . 0.0 111.421 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -55.8 -47.23 77.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.75 1.22 . . . . 0.0 111.438 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -61.92 -47.81 83.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.874 -0.584 . . . . 0.0 110.822 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -55.37 -41.67 63.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 118.616 0.644 . . . . 0.0 111.162 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.24 -47.71 83.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 117.956 0.344 . . . . 0.0 110.672 173.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -86.23 64.44 8.56 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.133 0.973 . . . . 0.0 110.555 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.4 mtt -134.38 87.49 32.59 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 125.237 1.415 . . . . 0.0 108.302 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -52.56 -27.35 32.31 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 125.002 3.802 . . . . 0.0 115.823 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -88.67 -16.6 31.95 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.557 0.617 . . . . 0.0 111.288 -171.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.9 mt -75.22 171.9 13.35 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 169.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -119.67 178.52 4.54 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.589 1.156 . . . . 0.0 108.857 170.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.41 -56.42 15.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.231 1.012 . . . . 0.0 111.464 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.63 -47.1 77.17 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.575 0.75 . . . . 0.0 111.433 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -63.51 -56.58 14.93 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.14 0.576 . . . . 0.0 111.338 -178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -61.72 -40.89 96.67 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 119.361 -0.352 . . . . 0.0 111.11 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -58.49 -44.23 89.33 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.444 0.698 . . . . 0.0 110.51 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.1 -50.97 43.45 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -64.7 -39.91 94.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.984 -0.532 . . . . 0.0 111.885 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.66 -45.11 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 119.116 0.871 . . . . 0.0 110.371 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -45.27 94.2 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.922 0.889 . . . . 0.0 110.854 176.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 t -58.41 -45.86 87.56 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.908 0.483 . . . . 0.0 111.346 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tt -58.55 -56.41 22.54 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.742 1.217 . . . . 0.0 109.497 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -53.26 -46.01 69.05 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.679 1.592 . . . . 0.0 111.089 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.29 -46.77 85.24 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.624 1.169 . . . . 0.0 111.399 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -135.01 81.28 45.89 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 123.493 0.717 . . . . 0.0 110.654 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -56.91 -31.35 89.06 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 124.459 3.439 . . . . 0.0 114.086 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -53.79 -44.27 69.98 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.754 0.822 . . . . 0.0 111.619 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -97.47 31.32 2.57 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.634 0.773 . . . . 0.0 111.573 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -57.63 -35.41 70.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.02 0.528 . . . . 0.0 111.365 172.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.93 -44.9 96.56 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.003 0.921 . . . . 0.0 111.313 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.18 -48.65 75.11 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 122.595 0.358 . . . . 0.0 110.07 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -53.98 -47.09 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.949 0.9 . . . . 0.0 110.711 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.75 -47.17 83.24 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.903 0.881 . . . . 0.0 110.467 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.12 -54.04 36.51 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.999 0.809 . . . . 0.0 111.819 177.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -60.07 -44.82 94.46 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.086 0.954 . . . . 0.0 111.103 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.48 86.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.284 0.634 . . . . 0.0 111.254 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -65.74 -40.84 92.55 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.159 0.584 . . . . 0.0 110.765 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -59.38 -46.19 89.36 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.045 0.538 . . . . 0.0 110.119 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 tp -66.97 -44.51 80.3 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.918 0.487 . . . . 0.0 110.706 -178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -54.34 -50.24 67.88 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.602 1.161 . . . . 0.0 110.403 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.21 -49.46 77.54 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.298 1.039 . . . . 0.0 111.114 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.8 p -61.6 -34.79 76.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.7 0.4 . . . . 0.0 111.811 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 123.929 0.892 . . . . 0.0 112.028 179.05 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 119.898 -0.096 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -56.21 -54.26 47.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.695 0.798 . . . . 0.0 110.993 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -60.17 -42.51 95.14 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.876 0.87 . . . . 0.0 111.698 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -63.73 -41.61 98.02 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.128 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.85 -39.06 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 118.644 0.656 . . . . 0.0 110.946 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.83 -45.02 95.65 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.888 0.767 . . . . 0.0 110.255 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -79.91 63.9 4.59 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.148 0.979 . . . . 0.0 110.515 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.5 mmt -125.16 88.61 53.89 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 125.136 1.374 . . . . 0.0 107.49 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.55 -22.44 33.06 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.359 2.706 . . . . 0.0 113.78 -169.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -88.94 -29.44 19.56 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.57 0.623 . . . . 0.0 110.545 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.6 mt -66.58 153.66 42.46 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 117.847 0.294 . . . . 0.0 110.574 175.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -89.88 179.96 5.86 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 169.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -57.64 12.17 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.412 0.685 . . . . 0.0 111.098 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.18 -47.41 62.2 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.864 0.865 . . . . 0.0 111.793 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.12 -59.83 4.79 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.08 0.952 . . . . 0.0 111.578 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -63.04 -46.05 89.37 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.96 0.345 . . . . 0.0 111.109 -174.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -62.46 -35.8 80.46 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.506 0.722 . . . . 0.0 110.971 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.9 59.63 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 172.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -66.18 -36.43 83.07 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 118.444 -0.789 . . . . 0.0 112.012 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -58.28 -46.47 88.91 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 119.744 1.156 . . . . 0.0 110.574 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -61.74 -45.19 95.01 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.041 0.382 . . . . 0.0 110.657 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -57.15 -41.21 78.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.979 0.512 . . . . 0.0 111.399 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.32 -50.85 64.06 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.76 1.224 . . . . 0.0 109.684 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -53.78 -45.87 70.82 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.542 1.137 . . . . 0.0 110.844 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.82 -45.25 75.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.741 0.817 . . . . 0.0 111.109 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -119.14 81.04 20.13 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.907 1.283 . . . . 0.0 109.676 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.08 -15.67 25.75 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.238 2.625 . . . . 0.0 112.41 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -72.72 -47.05 50.31 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.764 0.711 . . . . 0.0 110.495 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -94.1 33.64 1.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.447 0.699 . . . . 0.0 111.889 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -57.21 -34.09 68.18 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.335 0.654 . . . . 0.0 111.935 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.75 99.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.812 0.845 . . . . 0.0 111.169 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.52 -46.81 74.95 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.774 0.43 . . . . 0.0 109.977 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.7 t -57.45 -44.01 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 124.034 0.934 . . . . 0.0 110.811 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.16 -44.44 92.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.36 0.664 . . . . 0.0 110.203 174.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.98 -50.69 57.86 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 123.877 0.751 . . . . 0.0 111.748 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.84 -47.05 86.19 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.961 0.904 . . . . 0.0 110.832 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.35 82.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.493 0.717 . . . . 0.0 111.448 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -59.51 -46.76 87.91 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.296 1.038 . . . . 0.0 110.325 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.68 -49.41 77.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.44 0.696 . . . . 0.0 110.808 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.81 -35.33 80.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.647 0.779 . . . . 0.0 111.05 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -63.48 -53.4 52.62 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.216 1.006 . . . . 0.0 109.683 174.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.14 -48.19 82.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.795 1.238 . . . . 0.0 111.797 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.5 p -60.3 -35.36 75.41 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.615 0.766 . . . . 0.0 111.758 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.806 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 111.348 0.129 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -56.67 -49.05 76.22 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.816 0.847 . . . . 0.0 111.452 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -58.01 -48.85 78.8 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.909 1.284 . . . . 0.0 110.966 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.25 -45.72 92.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.752 0.821 . . . . 0.0 111.23 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.58 -42.64 40.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 118.363 0.529 . . . . 0.0 111.036 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.65 -51.79 52.19 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.086 0.403 . . . . 0.0 110.747 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -82.62 65.46 7.76 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.64 1.176 . . . . 0.0 110.658 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.6 mtt -132.8 99.89 15.03 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 126.214 1.806 . . . . 0.0 106.54 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -45.05 -36.66 11.81 Favored 'Trans proline' 0 C--N 1.348 0.505 1 C-N-CA 125.404 4.069 . . . . 0.0 116.226 -171.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -89.01 -18.5 27.23 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.835 -172.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.7 mt -79.1 122.8 26.68 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.474 0.579 . . . . 0.0 109.588 175.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -89.26 177.24 6.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 172.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.86 -53.36 7.61 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.308 1.443 . . . . 0.0 112.757 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.92 -49.2 63.56 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.549 0.739 . . . . 0.0 111.579 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -68.4 -57.24 6.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.581 0.752 . . . . 0.0 110.467 -174.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -64.84 -41.87 95.37 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.244 0.618 . . . . 0.0 111.806 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -61.33 -41.6 97.29 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.085 0.402 . . . . 0.0 110.237 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.61 -53.32 36.37 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.925 0.774 . . . . 0.0 111.399 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -60.02 -37.99 81.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.157 0.478 . . . . 0.0 111.55 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.48 -37.42 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.712 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.91 -42.04 97.51 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.549 1.068 . . . . 0.0 110.443 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 m -60.29 -41.76 94.05 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.749 0.42 . . . . 0.0 111.134 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.29 -55.43 28.36 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.378 1.071 . . . . 0.0 109.526 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -53.16 -44.62 67.96 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.801 1.24 . . . . 0.0 111.159 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.91 -46.18 90.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.195 0.998 . . . . 0.0 111.387 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -133.86 84.17 44.69 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 123.638 0.775 . . . . 0.0 110.171 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -55.48 -41.53 77.06 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 124.378 3.385 . . . . 0.0 113.471 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -59.02 -29.73 67.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.864 0.466 . . . . 0.0 112.244 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -93.34 20.77 6.71 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.831 0.853 . . . . 0.0 112.492 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.6 m -50.99 -38.54 51.75 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.44 1.018 . . . . 0.0 112.094 171.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.6 85.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.687 0.795 . . . . 0.0 111.478 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.53 -50.65 68.71 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 122.916 0.486 . . . . 0.0 110.204 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.19 -46.92 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.669 1.188 . . . . 0.0 110.788 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.68 -46.66 81.02 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.302 1.041 . . . . 0.0 110.332 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.89 -58.16 13.61 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -58.32 -37.95 76.12 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.683 0.793 . . . . 0.0 111.769 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.05 86.62 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.975 0.51 . . . . 0.0 111.008 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -65.08 -41.55 94.94 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.014 0.37 . . . . 0.0 111.125 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.2 -46.16 86.3 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.707 0.403 . . . . 0.0 110.428 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tp -67.12 -44.53 79.69 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.434 0.294 . . . . 0.0 110.756 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -52.04 -52.99 47.33 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.255 1.022 . . . . 0.0 110.049 174.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.85 -48.71 79.0 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.275 1.03 . . . . 0.0 111.46 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.5 p -63.15 -28.61 70.18 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.919 0.488 . . . . 0.0 112.161 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.517 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.722 -0.103 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -58.68 -52.49 65.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.242 1.017 . . . . 0.0 111.047 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -54.0 -47.18 71.74 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.142 0.977 . . . . 0.0 110.995 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -61.22 -51.95 66.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.146 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.27 -41.07 59.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 118.836 0.744 . . . . 0.0 111.323 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -59.88 -52.74 64.14 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.253 0.479 . . . . 0.0 110.234 172.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -82.04 62.9 6.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.557 1.143 . . . . 0.0 111.061 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 39.0 mtt -133.36 88.28 35.58 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 125.505 1.522 . . . . 0.0 107.902 172.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -51.13 -29.49 28.79 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 125.007 3.804 . . . . 0.0 115.869 -174.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -88.93 -14.44 36.69 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.336 0.517 . . . . 0.0 112.029 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.9 mt -78.87 146.15 33.79 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.461 0.573 . . . . 0.0 109.98 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -89.48 170.07 10.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.35 0.66 . . . . 0.0 109.358 170.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.7 -55.62 21.38 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.409 1.084 . . . . 0.0 111.786 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.04 -49.16 66.86 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.657 0.783 . . . . 0.0 111.327 -176.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.06 -63.03 1.44 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.374 0.67 . . . . 0.0 110.941 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 ptt85 -58.98 -39.05 80.6 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-O 119.215 -0.422 . . . . 0.0 111.919 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -62.81 -41.89 99.49 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.309 0.504 . . . . 0.0 110.63 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.03 -51.9 43.23 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -60.23 -46.75 88.7 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.448 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.4 mt -53.63 -50.75 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 124.339 1.056 . . . . 0.0 111.042 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -57.48 -52.83 63.8 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.587 0.355 . . . . 0.0 110.088 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.3 t -52.92 -40.81 63.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.355 0.662 . . . . 0.0 111.726 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -55.69 31.65 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.224 1.409 . . . . 0.0 110.602 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.25 -33.52 67.56 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.147 0.579 . . . . 0.0 111.582 -175.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -65.21 -45.27 85.42 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.195 0.598 . . . . 0.0 110.449 174.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -121.66 78.41 38.47 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 124.826 1.25 . . . . 0.0 109.663 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.76 -26.76 38.53 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.225 2.617 . . . . 0.0 111.944 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.2 p -64.11 -14.33 54.04 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.35 0.523 . . . . 0.0 112.267 174.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -116.37 32.28 6.22 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.88 1.272 . . . . 0.0 111.072 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.7 m -55.6 -47.97 75.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.199 0.454 . . . . 0.0 110.579 172.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.51 98.74 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.277 1.031 . . . . 0.0 111.96 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -64.97 -52.03 58.47 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.893 0.477 . . . . 0.0 110.328 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.28 -47.71 68.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 124.358 1.063 . . . . 0.0 110.468 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -54.91 -51.83 64.82 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.395 1.078 . . . . 0.0 110.15 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.57 -57.55 15.31 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.133 0.873 . . . . 0.0 111.781 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -55.87 -49.55 73.06 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.977 0.911 . . . . 0.0 111.078 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.6 87.08 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.491 0.716 . . . . 0.0 111.694 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.46 -43.31 73.52 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 123.177 0.591 . . . . 0.0 111.127 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -61.79 -41.31 97.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.385 0.539 . . . . 0.0 110.768 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.47 -50.81 71.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.694 0.798 . . . . 0.0 110.399 176.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -55.35 -47.18 76.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.312 1.045 . . . . 0.0 110.967 176.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.95 -47.56 85.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.736 1.214 . . . . 0.0 111.17 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.6 p -62.39 -29.71 70.68 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.621 0.368 . . . . 0.0 111.877 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 . . . . . 0 CA--C 1.536 0.434 0 C-N-CA 123.691 0.796 . . . . 0.0 112.341 177.233 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 119.919 -0.086 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -52.84 -45.76 67.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.329 1.051 . . . . 0.0 111.327 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.36 -52.91 61.75 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.815 1.246 . . . . 0.0 110.835 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -59.87 -44.48 94.14 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.499 0.59 . . . . 0.0 111.41 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.8 t -52.83 -47.05 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.705 0.802 . . . . 0.0 111.019 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -65.85 -55.22 18.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.828 0.285 . . . . 0.0 110.701 174.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -83.8 68.03 9.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.957 1.303 . . . . 0.0 110.561 -173.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.8 mtm -142.03 142.04 23.56 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 124.663 1.185 . . . . 0.0 108.338 169.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.39 -44.59 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.546 2.831 . . . . 0.0 113.396 -169.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -89.53 -17.78 27.92 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -169.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.0 mt -72.71 106.38 4.68 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -88.72 174.39 8.04 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.99 -58.76 1.35 Allowed 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.763 1.625 . . . . 0.0 113.258 -172.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.04 -46.14 64.95 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.063 0.945 . . . . 0.0 111.816 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -68.64 -57.86 5.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.833 0.853 . . . . 0.0 110.22 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -62.01 -43.1 99.56 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.869 0.467 . . . . 0.0 111.405 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -61.36 -43.6 98.59 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.145 0.578 . . . . 0.0 110.312 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.59 -53.4 32.61 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 174.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -62.92 -37.11 85.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 118.962 -0.542 . . . . 0.0 112.395 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.47 -46.2 95.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.856 0.753 . . . . 0.0 110.139 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -62.07 -42.42 99.18 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.151 0.432 . . . . 0.0 110.966 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 m -58.7 -45.25 89.92 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.938 0.495 . . . . 0.0 111.158 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.47 -52.42 65.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.539 1.136 . . . . 0.0 109.622 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -55.44 -49.11 73.31 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.548 1.139 . . . . 0.0 110.666 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.43 -46.05 84.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.889 0.876 . . . . 0.0 111.336 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -118.81 79.02 16.4 Favored Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 125.042 1.337 . . . . 0.0 109.505 -176.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -63.0 -38.05 49.15 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.913 2.409 . . . . 0.0 111.618 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 p -57.86 -30.61 65.95 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.084 0.954 . . . . 0.0 112.261 175.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -89.72 35.39 0.83 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.798 0.839 . . . . 0.0 111.881 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -58.89 -47.17 85.92 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.737 -0.602 . . . . 0.0 110.911 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.46 97.36 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.287 1.035 . . . . 0.0 111.879 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -66.71 -51.57 54.53 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.942 0.497 . . . . 0.0 109.815 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.21 -44.84 66.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 124.194 0.998 . . . . 0.0 110.624 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 mt -53.61 -49.92 66.77 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.304 0.641 . . . . 0.0 110.645 172.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.8 -58.44 8.46 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 123.953 0.787 . . . . 0.0 111.877 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.45 -39.83 94.64 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.142 0.471 . . . . 0.0 111.753 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.94 -51.37 64.71 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.213 0.605 . . . . 0.0 111.402 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -58.09 -45.63 86.86 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.743 0.817 . . . . 0.0 110.635 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -47.01 87.37 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.215 0.606 . . . . 0.0 111.336 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.84 -41.34 91.88 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.12 0.568 . . . . 0.0 110.286 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -58.44 -48.6 80.19 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.008 0.523 . . . . 0.0 110.357 175.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.1 -49.55 76.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.932 0.893 . . . . 0.0 111.116 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.9 p -62.67 -29.73 70.86 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 CA--C 1.538 0.483 0 C-N-CA 123.611 0.764 . . . . 0.0 111.964 178.005 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -54.73 -52.03 63.77 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.762 1.225 . . . . 0.0 111.203 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -56.5 -46.23 80.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.604 0.761 . . . . 0.0 110.907 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -61.49 -43.67 98.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.826 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.63 -45.09 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 118.753 0.706 . . . . 0.0 110.534 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.26 -38.01 87.65 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 117.947 0.34 . . . . 0.0 111.527 174.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -68.4 -25.33 64.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.238 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.2 mmt -52.49 114.57 5.79 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 119.1 0.864 . . . . 0.0 110.846 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.98 -32.52 5.34 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.708 2.272 . . . . 0.0 113.437 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -89.47 -16.83 29.92 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.5 mt -68.77 157.04 37.21 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.771 0.714 . . . . 0.0 110.661 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -99.77 177.94 4.98 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.407 0.683 . . . . 0.0 109.335 169.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.95 -58.17 9.3 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.764 0.826 . . . . 0.0 111.276 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.52 -45.69 63.0 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.78 0.832 . . . . 0.0 111.841 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.88 -59.48 5.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.934 0.894 . . . . 0.0 111.359 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -61.55 -40.48 94.86 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 117.948 0.34 . . . . 0.0 111.191 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.39 -39.94 92.52 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.585 0.754 . . . . 0.0 110.707 175.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.94 -50.94 61.34 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -63.79 -39.23 93.74 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.451 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.99 -47.87 82.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 118.954 0.797 . . . . 0.0 110.143 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -47.26 80.43 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.53 0.732 . . . . 0.0 110.766 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m -59.4 -40.19 85.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.499 0.72 . . . . 0.0 111.305 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.53 -53.8 46.23 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.604 1.162 . . . . 0.0 109.298 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.08 -44.32 74.75 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.674 1.19 . . . . 0.0 111.202 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.99 -47.08 66.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.196 0.998 . . . . 0.0 111.177 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -122.28 76.2 42.73 Favored Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 125.035 1.334 . . . . 0.0 109.708 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.88 -32.78 44.81 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.007 2.471 . . . . 0.0 111.185 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.1 p -54.8 -36.48 64.98 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.061 0.944 . . . . 0.0 111.568 171.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -96.14 20.12 10.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.023 0.929 . . . . 0.0 112.384 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.5 p -53.85 -36.56 62.71 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.77 0.714 . . . . 0.0 112.439 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.82 88.84 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.918 0.887 . . . . 0.0 111.398 177.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -64.42 -47.3 79.65 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 123.178 0.591 . . . . 0.0 109.972 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -56.21 -48.55 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.201 1.0 . . . . 0.0 110.51 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.25 -43.37 92.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.743 0.817 . . . . 0.0 110.443 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.51 -51.36 55.19 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.936 0.779 . . . . 0.0 111.63 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -66.1 -37.1 84.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.563 0.745 . . . . 0.0 111.666 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.44 -47.81 84.01 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.783 0.433 . . . . 0.0 110.609 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -63.91 -39.77 94.93 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.778 0.831 . . . . 0.0 111.015 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.22 -49.54 75.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.007 0.923 . . . . 0.0 110.493 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 tp -65.8 -40.97 92.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.06 0.544 . . . . 0.0 110.307 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -57.47 -48.89 77.99 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.895 0.878 . . . . 0.0 110.825 174.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.11 -47.39 84.82 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.139 0.976 . . . . 0.0 111.028 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.3 p -59.95 -35.22 74.48 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.832 0.453 . . . . 0.0 111.615 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 124.01 0.924 . . . . 0.0 112.369 179.426 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 119.543 -0.265 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -53.45 -51.57 62.26 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.004 0.922 . . . . 0.0 110.949 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -54.49 -55.13 32.11 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.884 1.274 . . . . 0.0 110.751 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -57.84 -45.57 86.04 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.383 0.673 . . . . 0.0 112.147 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.11 -45.96 77.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.873 0.869 . . . . 0.0 110.559 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.1 -37.7 88.25 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.572 0.349 . . . . 0.0 111.464 174.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -69.11 -24.56 64.14 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.127 -0.94 . . . . 0.0 113.222 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.0 mmt -52.95 115.91 8.23 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 119.198 0.908 . . . . 0.0 110.831 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.99 -29.95 7.71 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.628 2.218 . . . . 0.0 113.124 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -89.42 -20.68 23.65 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -169.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.92 158.45 32.68 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.652 0.66 . . . . 0.0 110.932 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -101.99 177.12 4.98 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.684 0.794 . . . . 0.0 109.27 169.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.17 -55.8 28.71 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.954 0.902 . . . . 0.0 111.518 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -53.97 -45.71 71.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.621 0.768 . . . . 0.0 111.687 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.33 -58.28 8.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.815 0.846 . . . . 0.0 111.26 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -61.78 -40.85 96.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 117.878 0.308 . . . . 0.0 111.289 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.15 -43.01 96.08 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.52 0.728 . . . . 0.0 110.504 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.45 -50.68 55.88 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -65.63 -37.94 87.98 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 119.023 -0.513 . . . . 0.0 111.877 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mt -58.0 -49.91 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 118.907 0.776 . . . . 0.0 110.106 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -60.0 -44.24 94.66 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.763 177.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 t -57.14 -41.39 79.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.055 0.542 . . . . 0.0 111.32 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.3 -55.0 38.98 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.35 1.06 . . . . 0.0 109.544 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -57.4 -43.5 83.77 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.467 1.107 . . . . 0.0 111.539 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.41 -46.24 64.35 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.948 0.899 . . . . 0.0 111.03 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -127.55 72.28 77.76 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.595 1.158 . . . . 0.0 110.14 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -71.25 -18.46 30.28 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.41 2.74 . . . . 0.0 111.815 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.6 p -49.52 -41.36 40.79 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.72 1.208 . . . . 0.0 111.544 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -114.25 43.63 1.84 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.146 0.978 . . . . 0.0 110.595 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.1 t -54.82 -40.34 69.44 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.296 0.638 . . . . 0.0 111.117 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.63 -43.68 85.0 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.012 0.925 . . . . 0.0 111.534 175.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -63.8 -48.3 77.43 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 122.704 0.402 . . . . 0.0 110.097 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -54.24 -44.32 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.997 0.919 . . . . 0.0 110.831 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.31 -53.85 53.47 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.716 0.806 . . . . 0.0 109.49 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.33 -56.36 19.91 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.54 1.067 . . . . 0.0 112.653 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.45 -32.8 74.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.62 0.768 . . . . 0.0 111.999 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.41 92.3 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.192 0.451 . . . . 0.0 110.403 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -39.87 95.84 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.972 0.509 . . . . 0.0 110.213 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.03 -49.39 77.83 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.977 -0.452 . . . . 0.0 110.512 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.95 -43.66 98.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.784 0.434 . . . . 0.0 110.598 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -53.2 -58.11 8.18 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.845 1.258 . . . . 0.0 110.668 174.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -59.93 -48.34 82.1 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.823 1.249 . . . . 0.0 111.713 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.5 p -65.53 -18.96 65.71 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 . . . . . 0 C--N 1.341 0.216 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.425 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.515 0.197 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.09 -50.81 72.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.411 1.085 . . . . 0.0 110.658 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -58.08 -46.61 85.19 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.66 1.184 . . . . 0.0 111.248 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -57.68 -45.81 85.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.783 -0.627 . . . . 0.0 110.835 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.22 -41.13 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 118.64 0.655 . . . . 0.0 111.215 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 99.0 mt -58.55 -44.09 89.55 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.966 0.803 . . . . 0.0 110.62 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -87.11 69.85 10.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.143 0.977 . . . . 0.0 109.969 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.3 mmt -124.34 92.86 47.51 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 125.087 1.355 . . . . 0.0 109.043 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.38 -34.6 71.81 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 124.854 3.703 . . . . 0.0 115.557 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.57 -36.61 16.24 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.194 0.452 . . . . 0.0 110.223 -170.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.93 166.32 7.58 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.205 0.526 . . . . 0.0 110.77 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -108.04 -176.47 3.07 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.585 1.154 . . . . 0.0 108.961 169.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -56.14 25.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.689 0.796 . . . . 0.0 111.243 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.63 -46.89 70.64 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.306 0.643 . . . . 0.0 111.645 -177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -61.52 -58.52 7.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.415 0.686 . . . . 0.0 111.577 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -62.29 -40.14 95.28 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -63.64 -35.75 81.55 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.83 0.452 . . . . 0.0 110.82 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.39 -49.36 79.45 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.911 0.767 . . . . 0.0 111.368 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -58.09 -45.53 87.03 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.277 0.631 . . . . 0.0 110.961 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mt -55.1 -44.67 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 123.189 0.596 . . . . 0.0 110.952 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -49.76 73.93 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.794 0.837 . . . . 0.0 110.86 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -54.75 -42.9 72.21 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.225 0.61 . . . . 0.0 110.929 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -46.09 90.03 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.031 0.533 . . . . 0.0 110.593 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.05 -42.47 94.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.89 0.876 . . . . 0.0 111.27 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -56.68 -40.26 75.24 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.246 0.618 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -145.96 97.38 4.53 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -47.41 -34.93 20.29 Favored 'Trans proline' 0 C--N 1.348 0.531 1 C-N-CA 125.566 4.177 . . . . 0.0 115.266 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -64.87 -8.49 15.57 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -88.86 37.38 0.84 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.902 0.774 . . . . 0.0 110.43 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -65.59 -58.37 5.92 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.752 -0.593 . . . . 0.0 109.805 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.15 96.87 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.246 1.018 . . . . 0.0 111.633 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -59.32 -58.87 6.71 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.924 0.89 . . . . 0.0 110.413 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.73 -44.04 80.69 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.643 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.35 -46.91 69.71 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.566 0.621 . . . . 0.0 111.208 174.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.99 -62.56 5.83 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.916 0.769 . . . . 0.0 111.544 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.57 -41.72 96.1 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.057 0.429 . . . . 0.0 111.822 -176.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.56 -51.64 67.74 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.407 0.683 . . . . 0.0 111.25 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -66.06 -40.13 90.67 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.96 0.504 . . . . 0.0 110.978 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -50.86 71.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.879 0.472 . . . . 0.0 110.23 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.92 -51.0 71.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.106 0.562 . . . . 0.0 109.933 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -50.17 -60.39 3.01 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.266 1.027 . . . . 0.0 110.269 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.31 -52.55 61.16 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.781 0.832 . . . . 0.0 111.327 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -64.18 -6.22 6.27 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -173.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 . . . . . 0 CA--C 1.533 0.308 0 CA-C-N 119.025 0.829 . . . . 0.0 109.975 178.147 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.254 0 CA-C-O 119.893 -0.099 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.66 -51.68 66.42 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.7 1.2 . . . . 0.0 110.717 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -58.39 -49.18 78.18 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.64 0.776 . . . . 0.0 110.915 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -56.74 -49.99 73.59 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 119.204 -0.426 . . . . 0.0 111.044 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.5 t -53.51 -44.31 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.583 0.753 . . . . 0.0 111.344 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.27 -52.95 59.92 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.298 0.499 . . . . 0.0 110.949 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -81.13 71.33 8.1 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.059 0.944 . . . . 0.0 110.392 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.4 mtt -135.25 93.46 16.76 Favored Pre-proline 0 CA--C 1.532 0.268 0 C-N-CA 125.44 1.496 . . . . 0.0 109.052 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -51.72 -29.6 34.19 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 124.981 3.788 . . . . 0.0 115.424 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.67 -31.13 18.66 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 118.49 0.586 . . . . 0.0 110.34 -172.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 mt -68.5 144.2 54.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.177 0.444 . . . . 0.0 110.556 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -89.56 172.49 8.93 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 169.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.28 -53.62 51.28 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.823 0.849 . . . . 0.0 111.745 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.74 -49.32 68.42 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.574 0.75 . . . . 0.0 111.486 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -58.86 -58.96 6.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.68 0.792 . . . . 0.0 111.52 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -63.92 -46.65 83.84 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.709 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -61.93 -36.31 80.99 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.163 0.438 . . . . 0.0 110.667 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.67 -53.5 32.39 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 171.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -61.78 -37.22 83.51 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.751 -0.642 . . . . 0.0 112.327 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.42 -48.98 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 119.445 1.02 . . . . 0.0 110.338 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -61.29 -39.87 92.03 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.152 0.433 . . . . 0.0 111.162 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -60.29 -39.53 87.25 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.13 0.423 . . . . 0.0 111.396 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.76 -53.63 51.44 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.1 0.96 . . . . 0.0 109.408 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -54.25 -47.37 72.33 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.773 0.829 . . . . 0.0 111.219 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.39 -45.51 79.78 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.772 0.829 . . . . 0.0 111.496 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -120.29 77.88 26.18 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 125.043 1.337 . . . . 0.0 109.571 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.0 -36.44 38.17 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.072 2.514 . . . . 0.0 111.176 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 p -54.82 -42.44 71.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.105 0.962 . . . . 0.0 111.318 172.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -89.98 22.56 3.14 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.769 0.827 . . . . 0.0 112.185 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.3 t -57.12 -37.19 71.62 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.24 0.927 . . . . 0.0 111.37 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.44 92.1 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.83 0.852 . . . . 0.0 111.416 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -63.2 -51.68 65.35 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.43 0.692 . . . . 0.0 109.992 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.11 -47.87 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 125.033 1.333 . . . . 0.0 110.729 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.49 -50.37 73.98 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.167 0.587 . . . . 0.0 110.249 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.85 -52.15 40.75 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 123.835 0.731 . . . . 0.0 111.837 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -56.81 -43.56 81.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.263 1.025 . . . . 0.0 110.845 177.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.96 -44.18 90.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.427 0.691 . . . . 0.0 111.974 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.99 -48.33 80.32 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.062 0.945 . . . . 0.0 110.355 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -61.72 -51.59 67.73 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.516 0.726 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.46 -38.03 88.2 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.095 0.558 . . . . 0.0 110.816 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -58.38 -67.04 0.39 Allowed 'General case' 0 C--N 1.341 0.197 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -49.79 -52.6 30.83 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.171 0.989 . . . . 0.0 111.734 -173.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.1 p -55.67 -24.21 32.83 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -176.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.899 -176.809 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -53.01 -51.24 62.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.989 0.916 . . . . 0.0 111.632 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -58.19 -50.36 73.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.045 0.938 . . . . 0.0 111.061 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.22 -45.5 93.08 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.404 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.2 t -55.65 -45.61 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.919 0.888 . . . . 0.0 110.64 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.65 -56.66 18.57 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 173.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -85.75 56.61 4.04 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.373 1.069 . . . . 0.0 109.956 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.2 tpp -115.68 103.42 53.82 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -45.32 -45.13 15.63 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.768 3.645 . . . . 0.0 116.27 -170.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -97.35 13.48 29.5 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -168.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -106.31 129.12 54.39 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 119.051 0.841 . . . . 0.0 110.461 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -89.7 178.54 6.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.005 0.922 . . . . 0.0 108.855 169.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.78 -49.72 14.74 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 125.519 1.528 . . . . 0.0 113.385 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -54.54 -60.15 3.74 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.086 0.554 . . . . 0.0 111.396 -173.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -62.95 -54.75 33.59 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.955 0.502 . . . . 0.0 111.222 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -61.06 -43.38 98.97 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.35 -41.74 98.88 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.293 0.497 . . . . 0.0 110.503 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.63 -50.26 54.36 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.83 -41.29 95.87 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 118.852 -0.594 . . . . 0.0 111.733 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.5 -45.69 85.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.994 0.816 . . . . 0.0 110.265 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -63.0 -41.87 99.7 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.049 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -58.76 -42.24 88.46 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.52 0.6 . . . . 0.0 111.052 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.22 -50.01 75.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.216 1.406 . . . . 0.0 109.475 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -57.96 -44.47 87.03 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.778 1.231 . . . . 0.0 111.077 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -65.67 -43.19 90.09 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.11 0.964 . . . . 0.0 111.072 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -130.26 80.7 70.13 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 124.047 0.939 . . . . 0.0 110.345 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -50.81 -46.01 32.65 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 124.323 3.349 . . . . 0.0 112.285 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.2 p -50.05 -40.78 46.21 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.055 1.342 . . . . 0.0 112.056 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -89.8 18.58 5.46 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.876 0.87 . . . . 0.0 112.694 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 p -49.62 -41.21 41.77 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.97 0.908 . . . . 0.0 112.369 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.75 83.67 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.967 0.907 . . . . 0.0 111.82 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -64.08 -48.25 76.9 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.831 0.452 . . . . 0.0 110.155 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -55.33 -45.02 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 124.506 1.122 . . . . 0.0 110.651 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.38 -49.4 77.95 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.373 0.669 . . . . 0.0 110.078 174.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.58 -48.74 55.0 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 123.747 0.689 . . . . 0.0 112.136 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -60.92 -46.36 91.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.487 1.115 . . . . 0.0 110.797 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.76 95.0 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.317 0.647 . . . . 0.0 111.71 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -68.28 -38.58 81.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.208 0.603 . . . . 0.0 110.875 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -63.46 -46.6 85.46 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.694 0.797 . . . . 0.0 110.318 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -54.18 47.26 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.518 1.127 . . . . 0.0 108.691 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -53.79 -48.11 70.14 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.779 0.832 . . . . 0.0 111.657 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.83 -45.6 93.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.31 1.044 . . . . 0.0 111.202 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -62.7 -37.49 86.67 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.587 -0.244 . . . . 0.0 110.866 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 123.681 0.792 . . . . 0.0 111.46 175.317 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 73.31 -60.58 0.53 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.536 1.934 . . . . 0.0 111.615 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -149.25 -166.62 2.6 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.242 1.417 . . . . 0.0 108.609 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -73.92 78.27 1.65 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 171.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -90.05 30.9 1.02 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.863 1.265 . . . . 0.0 111.08 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.53 89.86 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.765 0.826 . . . . 0.0 110.999 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.93 -50.01 75.65 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.335 1.054 . . . . 0.0 110.312 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -59.51 -54.69 43.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.587 1.155 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -60.01 -45.89 91.29 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.641 0.776 . . . . 0.0 110.78 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -48.92 79.1 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.113 0.565 . . . . 0.0 110.737 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -56.44 -49.43 74.59 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.015 0.926 . . . . 0.0 111.477 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -60.03 -46.2 90.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.537 0.735 . . . . 0.0 111.124 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.74 -50.09 74.86 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.844 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.05 -42.2 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.807 0.843 . . . . 0.0 111.153 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.2 mt -57.87 -52.96 63.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.285 0.493 . . . . 0.0 110.044 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -82.29 62.72 6.13 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.819 0.848 . . . . 0.0 110.785 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.8 mmt -114.76 92.7 30.71 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 169.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.1 -20.04 25.58 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.283 2.656 . . . . 0.0 113.342 -169.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -89.06 -29.27 19.55 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.317 0.508 . . . . 0.0 110.186 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.13 147.21 48.63 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -89.45 163.55 15.21 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 169.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.33 -55.55 8.58 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.673 1.189 . . . . 0.0 112.751 -171.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -50.23 -42.86 52.5 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.761 0.824 . . . . 0.0 112.837 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -68.18 -56.18 9.66 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 122.651 0.38 . . . . 0.0 110.858 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -60.69 -39.28 87.9 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -60.58 -43.81 96.91 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.5 0.72 . . . . 0.0 110.29 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.84 -50.97 41.85 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -64.38 -36.3 83.71 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.843 -0.598 . . . . 0.0 112.419 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.43 -49.14 84.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 119.276 0.944 . . . . 0.0 110.025 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -62.59 -36.82 83.95 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.833 0.288 . . . . 0.0 111.242 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -62.46 -40.17 95.77 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.085 0.402 . . . . 0.0 111.08 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.99 -54.89 39.38 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.111 0.965 . . . . 0.0 109.137 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -53.55 -47.31 70.15 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.037 0.935 . . . . 0.0 111.355 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.98 -42.58 84.87 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.901 0.88 . . . . 0.0 111.694 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -122.2 74.39 39.77 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 125.168 1.387 . . . . 0.0 109.42 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.15 -37.52 31.84 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.27 2.646 . . . . 0.0 111.768 -174.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.6 p -60.69 -28.18 68.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.174 0.59 . . . . 0.0 111.872 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -98.17 25.35 6.23 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.056 0.942 . . . . 0.0 112.132 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -55.89 -38.16 69.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.701 0.682 . . . . 0.0 111.979 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.03 88.16 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.664 0.786 . . . . 0.0 111.347 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -63.36 -51.17 67.0 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 123.28 0.632 . . . . 0.0 110.432 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.23 -46.6 68.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.53 1.132 . . . . 0.0 110.703 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.22 -47.24 86.09 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.98 0.912 . . . . 0.0 110.586 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.61 -51.53 54.22 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.777 0.703 . . . . 0.0 111.642 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.77 -47.68 83.86 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.385 1.074 . . . . 0.0 110.837 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.59 -47.29 86.17 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.519 0.728 . . . . 0.0 111.535 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -65.05 -42.36 94.33 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.374 0.67 . . . . 0.0 110.918 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -62.2 -44.53 96.38 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.381 0.672 . . . . 0.0 110.499 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.67 -46.73 81.19 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.65 0.38 . . . . 0.0 110.077 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -55.0 -47.05 75.16 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.22 1.008 . . . . 0.0 110.825 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.64 -50.24 74.32 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.045 0.938 . . . . 0.0 111.049 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.3 p -62.17 -34.46 76.45 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.78 0.432 . . . . 0.0 111.858 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -89.49 13.14 14.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.888 0.875 . . . . 0.0 111.933 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.6 140.47 96.49 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 118.99 0.814 . . . . 0.0 110.496 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.778 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 62.9 Cg_endo -69.49 -39.79 6.57 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.18 2.587 . . . . 0.0 111.376 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.778 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 29.5 tptp . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.121 -1.419 . . . . 0.0 109.336 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -157.06 145.09 19.29 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.559 1.144 . . . . 0.0 108.16 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -62.28 -67.41 0.42 Allowed 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -86.99 74.73 9.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.95 -18.03 65.19 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.562 0.745 . . . . 0.0 112.888 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.82 55.99 2.19 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.279 1.032 . . . . 0.0 111.343 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -81.79 -63.09 1.46 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -44.2 50.04 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.365 1.866 . . . . 0.0 113.08 -174.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -57.72 -62.15 2.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.602 0.761 . . . . 0.0 110.422 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.48 -42.78 83.31 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.563 0.745 . . . . 0.0 110.992 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -53.65 -54.65 34.72 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.364 1.066 . . . . 0.0 111.006 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -61.84 -50.93 70.3 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 122.924 0.49 . . . . 0.0 110.788 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -55.18 -49.07 72.81 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.505 0.722 . . . . 0.0 112.041 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.23 -41.09 91.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 122.954 0.501 . . . . 0.0 111.975 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.92 -41.07 99.34 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.442 0.564 . . . . 0.0 110.243 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -83.32 58.49 4.52 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.475 1.11 . . . . 0.0 110.399 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.6 mmt -118.39 133.81 23.48 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 124.938 1.295 . . . . 0.0 108.495 175.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.69 -43.76 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.046 2.497 . . . . 0.0 112.648 -174.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -89.8 -29.14 18.85 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.966 0.506 . . . . 0.0 112.293 -169.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.8 133.93 53.02 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.462 0.574 . . . . 0.0 110.713 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -89.64 170.07 10.78 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.576 0.751 . . . . 0.0 109.257 169.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.36 -56.47 8.04 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.967 1.307 . . . . 0.0 112.649 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -51.1 -45.28 61.45 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.582 0.753 . . . . 0.0 111.846 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.65 -62.53 1.4 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.809 0.844 . . . . 0.0 110.789 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -61.89 -48.25 81.34 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.04 0.536 . . . . 0.0 111.648 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -63.54 -40.6 97.44 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.119 0.568 . . . . 0.0 110.561 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.21 -50.45 55.83 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.12 -36.05 82.31 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.988 0.394 . . . . 0.0 111.529 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.96 -43.66 92.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 118.55 0.614 . . . . 0.0 110.938 173.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -63.17 -37.47 87.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.591 0.632 . . . . 0.0 110.954 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 t -61.5 -41.52 97.41 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.192 0.451 . . . . 0.0 110.86 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -54.13 50.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.003 0.921 . . . . 0.0 109.777 177.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -56.16 -46.92 79.12 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.589 1.156 . . . . 0.0 110.899 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.15 -49.25 78.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.327 1.051 . . . . 0.0 111.303 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -131.36 91.69 34.32 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.864 0.866 . . . . 0.0 109.619 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -46.19 -38.27 19.51 Favored 'Trans proline' 0 N--CA 1.46 -0.478 1 C-N-CA 125.43 4.086 . . . . 0.0 115.444 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.4 p -56.79 -25.73 56.15 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.505 0.722 . . . . 0.0 112.806 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -89.65 36.59 0.85 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.982 0.913 . . . . 0.0 111.521 -173.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.7 p -69.4 -54.0 16.59 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.695 0.679 . . . . 0.0 110.078 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.31 -41.7 85.1 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.353 1.061 . . . . 0.0 111.023 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -60.79 -53.05 62.07 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.697 0.799 . . . . 0.0 110.544 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 t -54.45 -49.61 64.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 C-N-CA 124.702 1.201 . . . . 0.0 111.016 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.6 -50.26 73.72 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.964 0.906 . . . . 0.0 110.05 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.74 -59.5 10.71 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.548 1.07 . . . . 0.0 112.4 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.2 -37.94 87.24 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 117.439 0.619 . . . . 0.0 111.506 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.89 67.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.247 0.619 . . . . 0.0 110.932 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -62.17 -40.32 95.63 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.915 0.486 . . . . 0.0 110.924 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.82 -49.01 78.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.663 0.785 . . . . 0.0 110.543 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.75 -42.88 97.77 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.212 0.605 . . . . 0.0 110.372 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.06 -52.56 64.8 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.077 0.951 . . . . 0.0 110.205 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.48 -48.42 80.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.538 1.135 . . . . 0.0 111.246 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.1 p -60.55 -34.97 74.91 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.05 0.54 . . . . 0.0 111.433 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -88.89 57.92 4.36 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.08 144.1 99.0 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.16 0.584 . . . . 0.0 110.165 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.795 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 69.4 Cg_endo -70.18 -39.63 5.49 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.141 2.561 . . . . 0.0 111.371 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.795 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 58.9 tptt . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.285 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -66.1 -53.61 35.91 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -82.89 54.92 2.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.021 0.928 . . . . 0.0 109.523 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 t70 51.95 -143.27 0.68 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.269 1.427 . . . . 0.0 111.102 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -88.64 -11.25 45.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.629 1.172 . . . . 0.0 111.909 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.33 -34.72 70.92 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.171 0.441 . . . . 0.0 109.814 169.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -49.89 -58.48 5.33 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.63 1.572 . . . . 0.0 111.314 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -67.25 -48.2 68.45 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.375 1.07 . . . . 0.0 110.419 -176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -55.43 -47.98 75.14 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.714 0.806 . . . . 0.0 111.0 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.69 -50.74 72.17 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.805 0.842 . . . . 0.0 110.884 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -54.19 -49.43 69.36 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.541 0.736 . . . . 0.0 111.268 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -60.87 -47.47 86.22 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.414 0.685 . . . . 0.0 111.32 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -57.93 -50.81 72.07 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.748 0.419 . . . . 0.0 110.835 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.32 -42.19 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 123.223 0.609 . . . . 0.0 111.153 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -40.7 83.62 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.247 0.476 . . . . 0.0 111.356 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -71.03 -68.35 0.44 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.246 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.3 mtt -5.56 85.37 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 C-N-CA 129.069 2.948 . . . . 0.0 114.275 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -52.76 -28.39 38.03 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 124.848 3.699 . . . . 0.0 116.155 -170.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -88.71 -16.77 31.43 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.518 0.599 . . . . 0.0 111.723 -170.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.74 154.85 41.05 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.505 0.593 . . . . 0.0 110.078 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -96.4 177.22 5.77 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 168.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.04 -56.82 16.75 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.504 0.722 . . . . 0.0 111.32 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -52.67 -46.44 67.2 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.756 0.823 . . . . 0.0 111.644 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.47 -59.52 5.26 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.828 0.851 . . . . 0.0 111.173 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -62.54 -41.92 99.2 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 117.998 0.363 . . . . 0.0 111.578 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -62.03 -41.15 97.8 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.034 0.534 . . . . 0.0 110.681 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.09 -50.73 58.02 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -65.06 -36.91 85.84 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.993 -0.527 . . . . 0.0 111.867 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.6 -45.41 97.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 119.11 0.868 . . . . 0.0 110.231 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -62.69 -39.04 92.71 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.097 0.408 . . . . 0.0 111.0 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -61.9 -42.38 99.01 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.844 0.458 . . . . 0.0 111.011 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.53 -54.82 38.1 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.742 1.217 . . . . 0.0 109.255 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.68 -45.37 73.91 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.38 1.472 . . . . 0.0 111.233 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.95 -45.58 67.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.621 0.768 . . . . 0.0 111.263 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -120.4 76.02 25.03 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 109.54 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.36 -36.73 33.95 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.99 2.46 . . . . 0.0 111.36 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.5 p -55.85 -30.03 60.82 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.847 0.859 . . . . 0.0 112.176 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.91 15.61 21.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.256 1.023 . . . . 0.0 111.9 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 t -55.41 -35.43 65.35 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.139 0.881 . . . . 0.0 112.446 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.29 95.78 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.572 0.749 . . . . 0.0 111.258 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.13 -47.01 78.62 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.138 0.575 . . . . 0.0 110.254 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.4 t -55.51 -48.33 77.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 124.594 1.158 . . . . 0.0 110.441 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 tp -55.7 -47.43 76.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.591 0.756 . . . . 0.0 110.329 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.67 -60.33 8.83 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.075 0.845 . . . . 0.0 112.247 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -64.42 -35.38 80.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.282 0.541 . . . . 0.0 112.092 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.16 81.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.839 0.456 . . . . 0.0 110.651 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -63.17 -39.11 93.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.533 0.733 . . . . 0.0 110.618 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -61.12 -46.51 90.28 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.174 0.59 . . . . 0.0 110.413 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.74 -44.12 91.16 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.469 0.308 . . . . 0.0 110.692 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -54.41 -54.46 40.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.894 0.877 . . . . 0.0 110.096 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.34 -48.63 79.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.495 1.118 . . . . 0.0 111.528 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.4 p -60.52 -31.84 70.9 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.61 0.764 . . . . 0.0 111.861 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -88.76 57.36 4.13 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.33 123.28 86.13 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 123.767 0.827 . . . . 0.0 109.619 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.74 -45.02 37.76 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.852 3.035 . . . . 0.0 113.083 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 tptt . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.227 -1.368 . . . . 0.0 109.196 178.824 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -104.71 -71.89 0.72 Allowed 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.918 0.887 . . . . 0.0 110.289 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.3 m170 60.4 -77.41 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.783 1.633 . . . . 0.0 113.369 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -140.16 173.82 11.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.535 1.934 . . . . 0.0 109.179 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.71 -45.03 70.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.034 0.934 . . . . 0.0 113.388 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -53.42 52.3 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.142 0.577 . . . . 0.0 110.986 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -56.54 -46.91 80.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.637 1.175 . . . . 0.0 110.454 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -53.85 -61.03 2.57 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.908 0.883 . . . . 0.0 111.193 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -55.73 -53.95 50.32 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.183 0.593 . . . . 0.0 110.73 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.06 80.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.984 0.514 . . . . 0.0 111.618 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -56.36 -52.06 65.98 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.164 0.986 . . . . 0.0 111.111 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -58.18 -45.83 86.85 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.128 0.571 . . . . 0.0 110.654 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -59.15 -49.05 79.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.263 0.625 . . . . 0.0 111.343 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.05 -40.17 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.296 0.638 . . . . 0.0 111.278 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.67 -41.24 96.22 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.365 0.529 . . . . 0.0 111.214 173.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -67.19 -36.85 82.61 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.57 0.748 . . . . 0.0 112.552 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.9 mtt -50.05 113.21 3.25 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 124.62 1.168 . . . . 0.0 110.979 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.83 -26.15 4.76 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.95 2.433 . . . . 0.0 113.76 -169.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -88.96 -13.25 39.39 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 118.722 0.692 . . . . 0.0 112.561 -169.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.19 147.27 51.55 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.469 0.577 . . . . 0.0 109.772 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -89.92 175.29 7.26 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.56 -54.77 41.98 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.606 0.763 . . . . 0.0 111.37 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.83 -45.7 74.49 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.884 0.874 . . . . 0.0 111.449 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.76 -60.83 3.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.187 0.995 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -60.34 -42.88 96.58 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 119.256 -0.402 . . . . 0.0 110.947 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -59.92 -44.25 94.42 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.537 0.735 . . . . 0.0 110.854 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.18 -52.8 44.72 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -58.68 -51.51 69.62 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.19 0.596 . . . . 0.0 111.246 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.6 mt -50.44 -54.72 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.942 1.297 . . . . 0.0 110.798 178.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -64.02 -44.53 92.29 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.133 0.573 . . . . 0.0 111.346 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -54.31 -45.33 72.57 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.97 0.508 . . . . 0.0 110.58 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -46.27 82.84 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.073 0.949 . . . . 0.0 110.848 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.33 -44.77 80.33 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.067 0.947 . . . . 0.0 110.526 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -65.51 -45.78 82.21 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.732 0.813 . . . . 0.0 110.799 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -120.46 78.12 27.72 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 124.796 1.238 . . . . 0.0 109.763 -174.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -62.89 -25.81 74.37 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.539 2.826 . . . . 0.0 112.61 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -54.07 -31.64 52.31 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.867 0.867 . . . . 0.0 112.3 173.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -89.55 39.49 0.95 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.924 0.89 . . . . 0.0 111.417 -173.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.0 m -63.09 -60.27 3.66 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 122.837 0.455 . . . . 0.0 110.389 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.55 89.89 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.794 0.838 . . . . 0.0 111.605 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -62.2 -58.98 5.76 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.752 0.821 . . . . 0.0 110.528 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.0 t -58.6 -42.04 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.277 0.631 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.28 -49.87 73.01 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.316 0.647 . . . . 0.0 109.798 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.85 -57.12 20.46 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.039 0.828 . . . . 0.0 111.64 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.57 -49.09 68.47 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.306 1.042 . . . . 0.0 111.23 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.36 97.18 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.937 0.895 . . . . 0.0 111.443 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.24 -39.83 93.24 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.609 0.364 . . . . 0.0 110.931 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -61.75 -45.66 92.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.142 0.428 . . . . 0.0 110.323 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.5 -43.04 95.36 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.654 0.382 . . . . 0.0 110.799 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -59.53 -49.85 76.2 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.494 1.117 . . . . 0.0 110.74 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.39 -49.44 76.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.632 1.173 . . . . 0.0 111.139 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.0 p -61.26 -31.31 71.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.0 0.52 . . . . 0.0 111.98 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -89.38 6.9 38.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.614 0.766 . . . . 0.0 112.243 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.87 141.43 92.36 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 119.231 0.923 . . . . 0.0 110.397 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.31 -38.29 12.12 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.14 2.56 . . . . 0.0 111.166 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.085 178.407 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 63.02 -92.57 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.788 1.635 . . . . 0.0 109.651 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.83 66.15 8.95 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.014 1.325 . . . . 0.0 108.454 171.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.2 t70 68.36 160.23 0.17 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.687 1.995 . . . . 0.0 113.133 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.21 -5.94 8.21 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.031 0.932 . . . . 0.0 112.448 172.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.65 -36.36 15.76 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.298 1.039 . . . . 0.0 111.293 169.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -56.42 -66.01 0.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.638 1.175 . . . . 0.0 111.505 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -63.87 -37.47 87.5 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.846 0.458 . . . . 0.0 111.407 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.84 -51.15 70.96 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.433 1.093 . . . . 0.0 110.771 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.8 -53.8 54.1 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.533 0.733 . . . . 0.0 110.277 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.64 -49.67 67.39 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.62 0.768 . . . . 0.0 111.248 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.45 -53.34 59.22 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.978 0.911 . . . . 0.0 111.119 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.75 -43.75 98.23 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 119.087 -0.482 . . . . 0.0 111.706 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.1 t -54.77 -40.2 50.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 118.561 0.619 . . . . 0.0 111.061 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.73 -53.85 29.06 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.113 0.415 . . . . 0.0 110.234 172.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -83.36 64.72 7.96 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.631 1.172 . . . . 0.0 110.81 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.7 mtt -139.19 89.77 12.21 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 125.094 1.358 . . . . 0.0 108.834 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.33 -28.31 42.74 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.924 3.749 . . . . 0.0 115.948 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -88.59 -20.62 24.76 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 118.771 0.714 . . . . 0.0 111.36 -169.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.24 171.72 10.57 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 170.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -119.37 175.96 5.57 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.53 1.132 . . . . 0.0 109.29 170.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.52 -55.94 21.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.341 1.056 . . . . 0.0 111.466 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.14 -47.06 75.61 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.695 0.798 . . . . 0.0 111.426 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.21 -55.71 19.74 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.877 0.871 . . . . 0.0 111.475 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -62.82 -40.93 98.92 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 117.848 0.295 . . . . 0.0 111.138 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.1 -43.08 99.43 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.365 0.666 . . . . 0.0 110.339 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.99 -49.44 58.92 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -64.12 -39.92 95.07 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.903 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -58.82 -45.0 91.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.297 0.953 . . . . 0.0 110.37 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -64.04 -40.65 96.76 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 119.251 -0.404 . . . . 0.0 111.057 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -58.62 -41.68 86.45 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.462 0.574 . . . . 0.0 110.624 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -46.43 90.23 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.828 1.251 . . . . 0.0 110.058 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.23 -42.56 95.49 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.418 1.087 . . . . 0.0 110.735 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.45 -39.73 92.39 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.909 0.884 . . . . 0.0 111.173 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -131.58 77.61 72.81 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 123.917 0.887 . . . . 0.0 110.728 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.45 -41.43 76.95 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 124.427 3.418 . . . . 0.0 113.325 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.2 p -62.06 -35.74 79.54 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.739 0.816 . . . . 0.0 112.043 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -89.8 39.22 0.95 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.619 0.768 . . . . 0.0 110.897 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -61.8 -44.65 96.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.335 1.054 . . . . 0.0 110.595 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.0 82.3 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.443 1.097 . . . . 0.0 111.775 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -64.71 -51.88 60.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.937 0.495 . . . . 0.0 110.359 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.09 -45.09 76.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.92 0.888 . . . . 0.0 110.538 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.61 -45.66 91.29 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.626 0.77 . . . . 0.0 110.165 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.83 -50.93 52.41 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.818 0.723 . . . . 0.0 111.845 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.94 -44.61 94.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.159 0.583 . . . . 0.0 110.958 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.77 99.59 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.61 0.764 . . . . 0.0 111.91 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.11 -50.31 73.92 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.267 1.027 . . . . 0.0 110.115 174.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.05 -48.24 82.32 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.111 0.564 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.36 -47.34 76.75 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.391 0.276 . . . . 0.0 110.714 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -57.82 -47.61 82.13 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.297 1.039 . . . . 0.0 111.034 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.98 -50.77 69.45 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.292 1.037 . . . . 0.0 111.135 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.7 p -60.05 -34.37 73.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.993 0.517 . . . . 0.0 111.705 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -89.57 11.73 18.74 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.7 0.8 . . . . 0.0 112.353 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.65 141.3 92.71 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 119.103 0.865 . . . . 0.0 110.484 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.47 -38.97 10.27 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.162 2.575 . . . . 0.0 111.162 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.2 pttm . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.95 -1.5 . . . . 0.0 110.018 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -79.56 64.35 4.41 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.248 1.019 . . . . 0.0 110.16 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -56.82 -44.03 81.6 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.049 1.34 . . . . 0.0 110.386 174.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -78.45 77.85 4.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 172.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.61 -18.91 61.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.694 0.798 . . . . 0.0 112.416 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -39.14 61.15 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.004 0.922 . . . . 0.0 111.515 171.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -55.19 -56.17 22.96 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 124.201 1.0 . . . . 0.0 110.464 175.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -59.09 -52.66 64.78 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.092 0.957 . . . . 0.0 110.389 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -53.06 -56.55 15.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.008 0.923 . . . . 0.0 110.873 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.21 81.73 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.804 0.842 . . . . 0.0 111.373 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -56.99 -50.45 72.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.367 0.667 . . . . 0.0 111.297 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -60.95 -44.62 97.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.272 0.629 . . . . 0.0 111.259 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -61.24 -47.22 87.04 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.95 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.0 -39.86 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.664 0.786 . . . . 0.0 111.241 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.04 -50.98 71.6 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.555 0.616 . . . . 0.0 110.125 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -81.6 68.81 8.09 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.856 0.862 . . . . 0.0 110.602 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.5 mmt -122.94 93.51 48.28 Favored Pre-proline 0 CA--C 1.533 0.317 0 C-N-CA 125.411 1.484 . . . . 0.0 108.431 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.71 -38.08 55.4 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 124.604 3.536 . . . . 0.0 114.997 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -89.38 -30.37 18.43 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.714 -170.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.91 145.45 55.9 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.31 0.505 . . . . 0.0 111.038 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -89.27 170.73 10.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.9 -52.83 56.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.897 0.879 . . . . 0.0 111.656 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -53.58 -48.08 69.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.681 0.792 . . . . 0.0 111.351 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -61.43 -57.93 10.25 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.847 0.859 . . . . 0.0 111.646 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -64.5 -40.81 96.35 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -62.37 -39.35 92.88 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.22 0.463 . . . . 0.0 110.559 173.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.2 -51.98 43.3 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 173.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -63.88 -39.55 94.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.725 -0.655 . . . . 0.0 111.964 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.41 -49.18 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 119.242 0.928 . . . . 0.0 110.242 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -64.13 -37.67 88.28 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.936 0.495 . . . . 0.0 111.346 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -60.76 -44.03 97.24 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.746 0.419 . . . . 0.0 110.609 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -48.33 79.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.323 1.049 . . . . 0.0 109.918 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.46 -45.4 84.82 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.855 1.262 . . . . 0.0 110.666 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.58 -45.12 80.31 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.052 0.941 . . . . 0.0 111.138 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -118.58 77.01 13.8 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 125.111 1.364 . . . . 0.0 109.704 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.45 -29.84 62.24 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.004 2.469 . . . . 0.0 111.617 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.6 p -59.64 -34.59 73.0 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.084 0.954 . . . . 0.0 111.615 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -89.72 41.39 1.04 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.019 0.927 . . . . 0.0 110.746 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.6 t -63.97 -56.54 14.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.114 0.566 . . . . 0.0 110.52 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.68 94.04 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.119 0.968 . . . . 0.0 111.544 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.09 -53.53 54.11 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.737 0.815 . . . . 0.0 110.75 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -58.45 -45.36 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 123.785 0.834 . . . . 0.0 110.452 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.16 -46.32 75.75 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.158 0.583 . . . . 0.0 110.718 174.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -62.32 6.46 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.152 0.882 . . . . 0.0 111.611 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.68 -34.23 74.02 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 117.331 0.566 . . . . 0.0 112.199 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.43 83.97 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 122.725 0.41 . . . . 0.0 110.847 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -64.69 -37.16 86.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.574 0.35 . . . . 0.0 111.179 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.7 -49.1 77.82 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.359 0.527 . . . . 0.0 110.531 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.36 -39.2 93.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.84 0.291 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -58.8 -62.28 1.99 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.111 0.964 . . . . 0.0 109.934 174.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.36 -50.08 65.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.417 1.487 . . . . 0.0 112.103 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.0 p -58.56 -32.9 69.34 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.762 0.825 . . . . 0.0 112.241 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -88.89 58.19 4.48 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.91 132.59 94.75 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 123.209 0.603 . . . . 0.0 109.681 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -82.01 -159.68 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.773 2.982 . . . . 0.0 109.513 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.18 0 C-N-CA 124.699 1.2 . . . . 0.0 110.937 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -132.36 159.66 38.57 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 125.207 1.403 . . . . 0.0 109.108 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.1 m80 73.75 -65.63 0.34 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.36 1.864 . . . . 0.0 110.6 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 53.22 53.03 12.48 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.478 1.511 . . . . 0.0 111.587 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -90.45 37.53 0.91 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.67 1.188 . . . . 0.0 110.498 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.26 91.02 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.552 1.141 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -54.8 -53.86 49.7 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.674 1.189 . . . . 0.0 110.699 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -56.93 -56.82 16.7 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.772 0.829 . . . . 0.0 110.661 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -54.2 -52.73 60.3 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.901 0.88 . . . . 0.0 111.232 -177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -49.73 75.02 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.027 0.931 . . . . 0.0 111.228 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -57.31 -50.85 71.63 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.507 0.723 . . . . 0.0 111.22 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -60.11 -48.13 82.99 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.414 0.685 . . . . 0.0 110.706 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -54.01 -51.13 64.95 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.574 0.749 . . . . 0.0 111.12 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.7 t -57.45 -43.76 83.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.288 0.494 . . . . 0.0 111.104 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.85 -41.1 99.22 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.164 0.438 . . . . 0.0 111.926 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -77.87 -37.13 48.86 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.462 0.705 . . . . 0.0 112.82 -174.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.4 mtm -57.12 117.74 19.83 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 123.58 0.752 . . . . 0.0 111.279 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -75.92 -30.33 6.01 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.704 2.936 . . . . 0.0 113.909 -168.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -89.36 37.77 0.87 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.862 0.756 . . . . 0.0 110.646 -171.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.4 mt -122.86 141.17 52.17 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.884 1.674 . . . . 0.0 106.67 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -89.57 176.27 6.95 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 170.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.33 -55.35 32.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.395 0.678 . . . . 0.0 111.251 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -54.97 -43.2 73.29 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.398 0.679 . . . . 0.0 111.552 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -62.01 -61.27 2.6 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.156 0.582 . . . . 0.0 111.029 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -61.68 -44.23 97.34 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.989 0.358 . . . . 0.0 111.708 -173.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -62.85 -44.01 97.28 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 122.531 0.332 . . . . 0.0 110.436 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.68 -51.16 45.93 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -59.23 -46.7 87.77 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.676 0.791 . . . . 0.0 111.337 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -56.72 -45.59 82.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.026 0.53 . . . . 0.0 110.627 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -48.39 82.03 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.928 0.891 . . . . 0.0 111.211 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 m -55.07 -46.51 75.42 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.159 0.584 . . . . 0.0 111.3 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -51.74 63.73 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.628 0.771 . . . . 0.0 110.039 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.52 -43.39 75.68 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.292 1.437 . . . . 0.0 111.02 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.05 -45.94 91.19 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.582 1.153 . . . . 0.0 111.224 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -133.27 87.99 36.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 123.603 0.761 . . . . 0.0 109.593 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.96 -31.92 21.7 Favored 'Trans proline' 0 C--N 1.348 0.504 1 C-N-CA 125.434 4.089 . . . . 0.0 115.435 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.9 p -56.08 -24.67 41.45 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.911 0.884 . . . . 0.0 112.782 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -89.1 37.02 0.83 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.097 0.959 . . . . 0.0 110.984 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.8 m -64.3 -60.18 3.49 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.222 0.609 . . . . 0.0 109.817 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.61 87.83 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.162 0.985 . . . . 0.0 111.475 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -61.61 -57.78 10.68 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.559 0.743 . . . . 0.0 110.622 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.71 -43.42 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 123.209 0.604 . . . . 0.0 110.546 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -55.28 -49.58 71.75 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.99 0.516 . . . . 0.0 110.343 175.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.86 -55.43 29.08 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.994 0.806 . . . . 0.0 111.621 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -54.1 -54.59 37.36 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.305 1.042 . . . . 0.0 110.879 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.41 87.7 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.264 1.025 . . . . 0.0 111.929 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.25 -43.88 73.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.277 0.631 . . . . 0.0 111.076 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -60.51 -44.0 96.49 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.914 0.486 . . . . 0.0 110.124 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 tp -61.83 -51.53 67.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.504 0.322 . . . . 0.0 110.456 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.62 -49.85 69.51 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.33 1.052 . . . . 0.0 110.85 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.29 -49.55 77.17 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.518 1.127 . . . . 0.0 111.212 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.9 p -64.14 -35.92 82.37 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.037 0.535 . . . . 0.0 111.823 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -89.01 50.91 2.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.479 0.711 . . . . 0.0 109.975 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.88 78.84 16.48 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 124.762 1.225 . . . . 0.0 109.269 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.93 -61.56 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.808 2.338 . . . . 0.0 111.785 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mptt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 116.617 -1.659 . . . . 0.0 110.359 -177.85 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.514 -0.279 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? 69.98 -70.6 0.14 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.42 1.888 . . . . 0.0 111.988 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -84.63 68.1 10.24 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.808 1.243 . . . . 0.0 109.336 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -147.63 57.29 1.11 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.06 1.344 . . . . 0.0 108.446 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.95 -47.35 80.88 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.535 1.134 . . . . 0.0 112.101 -171.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.43 73.62 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.168 0.587 . . . . 0.0 111.208 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -61.18 -57.29 13.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.539 1.136 . . . . 0.0 111.192 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.47 -44.4 97.16 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 119.517 -0.277 . . . . 0.0 110.815 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.66 -55.83 29.52 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.262 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.01 -49.34 41.46 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.461 0.704 . . . . 0.0 111.043 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -54.98 -51.07 67.35 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.578 0.751 . . . . 0.0 111.485 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -58.66 -52.84 63.99 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 122.803 0.441 . . . . 0.0 111.206 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -60.93 -43.26 98.9 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.593 -175.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t -52.33 -41.87 36.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 118.389 0.541 . . . . 0.0 110.832 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -69.31 -43.34 73.96 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.021 0.373 . . . . 0.0 111.576 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -61.49 -43.86 98.11 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.118 0.967 . . . . 0.0 112.901 -174.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.3 mtt -45.69 110.62 1.18 Allowed Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 125.823 1.649 . . . . 0.0 112.171 -174.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -46.98 -42.39 25.51 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 125.058 3.839 . . . . 0.0 115.892 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -89.08 -2.35 58.51 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -170.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 mt -90.51 114.57 26.79 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -88.77 -176.19 5.15 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.96 -55.89 10.51 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.734 0.814 . . . . 0.0 111.647 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -50.63 -51.46 48.61 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.604 0.762 . . . . 0.0 111.492 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -64.45 -63.28 1.17 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.264 0.626 . . . . 0.0 111.325 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.52 -43.35 97.21 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.262 0.625 . . . . 0.0 112.139 -172.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -64.54 -36.45 84.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.234 0.47 . . . . 0.0 110.741 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.89 -52.67 51.53 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 174.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -59.79 -43.54 94.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.475 0.71 . . . . 0.0 111.091 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.1 mt -57.63 -41.8 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 123.807 0.843 . . . . 0.0 110.603 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -50.28 74.45 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.6 0.76 . . . . 0.0 109.986 176.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.2 m -56.07 -45.36 79.33 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.832 0.453 . . . . 0.0 111.011 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.43 -42.35 96.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.013 0.925 . . . . 0.0 110.92 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -61.24 -46.1 91.82 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.938 0.895 . . . . 0.0 110.088 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.48 -37.45 87.6 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.746 0.819 . . . . 0.0 111.201 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.81 82.35 67.03 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 123.917 0.887 . . . . 0.0 110.393 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.95 -37.07 66.55 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 124.329 3.353 . . . . 0.0 112.935 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 p -53.57 -33.32 54.35 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.064 1.345 . . . . 0.0 112.569 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -89.35 42.66 1.1 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.999 0.919 . . . . 0.0 110.973 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -64.66 -58.6 5.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.105 0.562 . . . . 0.0 109.988 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.07 86.24 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.311 1.044 . . . . 0.0 111.637 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -63.83 -54.25 37.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.497 0.719 . . . . 0.0 110.645 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.5 t -57.88 -46.95 87.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.264 0 C-N-CA 123.193 0.597 . . . . 0.0 110.3 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp -52.76 -47.69 67.31 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.843 0.857 . . . . 0.0 110.608 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.65 -60.75 8.43 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.454 1.026 . . . . 0.0 112.104 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.08 -36.49 84.2 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.477 0.638 . . . . 0.0 112.109 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.81 76.92 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.216 0.607 . . . . 0.0 110.354 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -64.18 -38.04 89.62 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 122.756 0.423 . . . . 0.0 110.736 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -44.06 97.74 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.081 0.4 . . . . 0.0 110.461 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.18 -47.63 79.06 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.864 0.465 . . . . 0.0 110.575 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -56.49 -48.18 77.69 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.138 0.575 . . . . 0.0 110.572 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.08 -46.99 88.41 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.244 1.418 . . . . 0.0 111.58 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.4 p -66.22 -20.58 66.17 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.968 0.507 . . . . 0.0 112.2 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -88.57 -21.48 24.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.928 0.891 . . . . 0.0 110.184 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.01 93.48 0.06 OUTLIER Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 126.381 1.872 . . . . 0.0 113.442 169.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.18 -42.65 65.44 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.86 3.04 . . . . 0.0 112.839 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.296 -1.335 . . . . 0.0 109.0 178.242 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -80.09 69.95 6.59 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.825 0.85 . . . . 0.0 109.667 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -72.02 103.1 3.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.488 0.715 . . . . 0.0 109.282 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -79.66 69.91 6.05 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.296 1.038 . . . . 0.0 110.412 -174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.98 -42.76 85.74 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.566 1.146 . . . . 0.0 112.289 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.43 79.22 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.543 0.737 . . . . 0.0 111.191 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.04 -49.24 75.37 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.193 0.597 . . . . 0.0 110.073 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.22 -55.83 26.83 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 123.755 0.822 . . . . 0.0 110.675 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -52.96 -52.84 56.75 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.79 0.836 . . . . 0.0 110.876 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.1 -55.77 30.43 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.941 0.496 . . . . 0.0 111.523 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -57.01 -51.21 70.17 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.035 0.934 . . . . 0.0 111.528 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.04 -49.41 75.89 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.261 1.824 . . . . 0.0 111.085 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -67.99 -44.34 76.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.647 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 t -52.62 -45.76 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.595 0.758 . . . . 0.0 110.627 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.8 mt -63.01 -51.34 67.18 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.465 0.306 . . . . 0.0 110.638 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -82.75 63.64 6.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.024 0.929 . . . . 0.0 111.139 -173.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.8 mtt -138.08 119.7 10.59 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.676 1.59 . . . . 0.0 107.41 175.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.1 -32.75 10.41 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 123.356 2.704 . . . . 0.0 113.515 -169.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -89.2 -15.85 32.72 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.198 0.454 . . . . 0.0 111.859 -170.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.8 127.88 34.23 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.482 0.583 . . . . 0.0 109.858 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -89.18 168.11 12.56 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 171.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.45 -56.24 5.25 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.964 1.306 . . . . 0.0 112.745 -172.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.78 -45.32 67.1 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.767 0.827 . . . . 0.0 111.855 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -66.41 -57.78 6.69 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.516 0.726 . . . . 0.0 111.126 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -61.61 -41.26 97.2 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.555 -0.259 . . . . 0.0 111.605 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.04 -45.48 92.7 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.323 0.649 . . . . 0.0 110.16 173.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.96 -51.15 41.68 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -62.51 -36.38 82.36 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 118.942 -0.552 . . . . 0.0 112.006 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.9 -43.33 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 119.157 0.889 . . . . 0.0 110.354 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -61.7 -43.39 98.95 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.664 0.665 . . . . 0.0 110.738 175.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -59.01 -44.61 91.73 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.1 0.56 . . . . 0.0 111.316 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.54 -57.83 11.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.518 1.127 . . . . 0.0 109.241 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -53.1 -45.54 68.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.144 1.378 . . . . 0.0 111.986 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.02 -46.49 71.09 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.935 0.894 . . . . 0.0 111.201 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -118.83 78.65 16.13 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 125.005 1.322 . . . . 0.0 109.416 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.08 -32.69 63.78 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.144 2.563 . . . . 0.0 111.576 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.8 p -56.34 -39.88 73.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.24 1.016 . . . . 0.0 111.302 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -89.97 30.61 1.05 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.305 1.042 . . . . 0.0 111.605 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.3 p -62.58 -51.35 67.68 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.846 0.748 . . . . 0.0 110.945 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.75 91.67 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.053 0.941 . . . . 0.0 111.463 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.0 -51.3 70.67 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.271 0.628 . . . . 0.0 110.45 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.3 t -57.63 -40.19 73.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 124.249 1.02 . . . . 0.0 111.057 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.86 -51.37 69.32 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 173.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.32 -51.19 52.78 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.252 0.929 . . . . 0.0 112.417 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -58.64 -46.85 86.23 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.259 1.024 . . . . 0.0 111.023 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.96 95.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.773 0.829 . . . . 0.0 111.241 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -63.81 -41.7 97.82 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.697 0.799 . . . . 0.0 110.742 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -61.57 -48.37 81.26 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.64 0.776 . . . . 0.0 110.391 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 tp -63.74 -43.69 95.75 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.74 0.416 . . . . 0.0 110.479 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -57.0 -51.04 70.84 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.647 0.779 . . . . 0.0 110.585 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.87 -47.52 85.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.57 1.148 . . . . 0.0 111.212 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.7 p -59.96 -33.43 71.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.837 0.455 . . . . 0.0 111.611 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -89.64 10.01 24.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.146 0.978 . . . . 0.0 112.353 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.97 141.34 84.11 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 119.173 0.897 . . . . 0.0 110.131 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -67.54 -43.7 5.38 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.015 2.477 . . . . 0.0 110.571 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.814 175.096 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 111.267 0.099 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 61.75 -90.61 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.87 1.668 . . . . 0.0 111.657 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 p80 39.22 50.82 1.97 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.694 1.998 . . . . 0.0 112.761 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -84.17 71.96 10.55 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.833 0.853 . . . . 0.0 109.258 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.17 -33.54 73.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.579 0.752 . . . . 0.0 111.555 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -46.87 84.7 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.903 0.881 . . . . 0.0 111.297 175.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -61.98 -35.32 78.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.497 0.719 . . . . 0.0 110.468 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -78.11 2.99 16.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.062 1.745 . . . . 0.0 112.808 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -51.93 -50.72 60.57 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.861 0.864 . . . . 0.0 112.109 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.53 -32.14 73.31 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.186 0.994 . . . . 0.0 111.555 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -62.68 -48.15 80.56 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.343 0.52 . . . . 0.0 110.301 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -54.08 -51.47 64.04 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.073 0.549 . . . . 0.0 110.352 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -57.78 -57.51 12.43 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.519 0.728 . . . . 0.0 110.563 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -52.2 -44.14 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 125.025 1.33 . . . . 0.0 111.811 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.56 -50.38 74.01 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.178 0.444 . . . . 0.0 110.401 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -84.35 65.55 8.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.851 0.86 . . . . 0.0 110.781 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.5 mmt -121.82 84.95 44.38 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 124.938 1.295 . . . . 0.0 107.834 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.22 -19.77 33.5 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.233 2.622 . . . . 0.0 113.439 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -89.13 -28.88 19.76 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.393 0.542 . . . . 0.0 110.384 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.7 mt -71.2 169.42 15.16 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 122.747 0.419 . . . . 0.0 110.159 170.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -110.95 -167.86 1.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.69 0.796 . . . . 0.0 109.244 169.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.56 -57.92 10.7 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.999 0.919 . . . . 0.0 112.26 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.99 -42.94 86.18 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.157 0.889 . . . . 0.0 112.024 -170.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -61.41 -60.62 3.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.014 0.926 . . . . 0.0 110.729 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -59.83 -44.81 93.86 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -63.02 -34.52 77.73 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 122.805 0.442 . . . . 0.0 111.29 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.6 -47.41 57.75 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 170.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -68.54 -32.74 72.89 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.366 -0.826 . . . . 0.0 112.584 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.1 mt -60.07 -49.43 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 119.792 1.178 . . . . 0.0 109.55 173.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -60.85 -40.26 92.21 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.741 0.416 . . . . 0.0 110.895 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 t -61.34 -41.03 96.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.758 0.423 . . . . 0.0 111.205 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.28 -55.03 36.53 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.168 0.987 . . . . 0.0 109.192 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -53.12 -46.3 68.71 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.641 1.176 . . . . 0.0 110.855 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.42 -45.48 76.0 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.833 0.853 . . . . 0.0 111.54 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -123.55 76.2 54.67 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 124.76 1.224 . . . . 0.0 110.381 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -66.54 -28.43 45.4 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.219 2.613 . . . . 0.0 111.429 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -58.1 -39.45 78.66 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.867 0.867 . . . . 0.0 111.057 170.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -94.43 22.5 6.04 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.062 0.945 . . . . 0.0 112.34 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -53.11 -39.95 63.81 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.137 0.88 . . . . 0.0 112.236 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.73 86.16 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.433 0.693 . . . . 0.0 111.479 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -62.65 -50.11 72.49 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.085 0.554 . . . . 0.0 110.188 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -53.2 -46.49 56.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.427 1.091 . . . . 0.0 111.067 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 tt -56.28 -55.33 34.67 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.681 1.192 . . . . 0.0 109.525 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.27 -51.86 48.08 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.114 0.864 . . . . 0.0 112.369 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -60.05 -47.36 86.19 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.697 1.199 . . . . 0.0 111.074 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.12 82.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.283 0.633 . . . . 0.0 111.054 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -65.55 -38.28 89.13 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.529 0.332 . . . . 0.0 111.328 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.73 -46.04 87.17 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.09 0.556 . . . . 0.0 110.425 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.31 -48.94 77.63 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.115 0.566 . . . . 0.0 109.851 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -54.66 -49.61 70.18 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.906 1.282 . . . . 0.0 111.035 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.46 -50.21 74.48 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.539 1.135 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.9 p -60.75 -35.34 76.16 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.794 0.438 . . . . 0.0 111.59 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -89.64 13.89 12.99 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.968 0.907 . . . . 0.0 112.28 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.05 125.63 89.59 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 118.958 0.799 . . . . 0.0 110.222 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.703 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 88.0 Cg_exo -50.34 -46.54 28.5 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.704 2.936 . . . . 0.0 113.101 175.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.703 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 65.5 tttp . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.381 -1.295 . . . . 0.0 109.4 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.37 132.35 43.84 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -39.07 -58.59 1.11 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 127.003 2.121 . . . . 0.0 113.62 -170.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -78.65 77.84 5.12 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -48.89 -36.09 16.3 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.365 1.466 . . . . 0.0 112.92 -174.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -44.62 -39.72 5.23 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.553 1.541 . . . . 0.0 113.421 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -64.46 -64.36 0.9 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.945 0.498 . . . . 0.0 110.689 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.6 35.34 0.88 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.772 1.229 . . . . 0.0 111.689 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -61.79 -54.51 41.36 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 123.427 0.691 . . . . 0.0 111.832 -172.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.77 -49.7 72.42 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.899 0.48 . . . . 0.0 110.991 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.18 -52.31 64.84 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.623 1.169 . . . . 0.0 111.421 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -55.8 -47.23 77.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.75 1.22 . . . . 0.0 111.438 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -61.92 -47.81 83.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.874 -0.584 . . . . 0.0 110.822 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -55.37 -41.67 63.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 118.616 0.644 . . . . 0.0 111.162 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.24 -47.71 83.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 117.956 0.344 . . . . 0.0 110.672 173.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -86.23 64.44 8.56 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.133 0.973 . . . . 0.0 110.555 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.4 mtt -134.38 87.49 32.59 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 125.237 1.415 . . . . 0.0 108.302 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -52.56 -27.35 32.31 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 125.002 3.802 . . . . 0.0 115.823 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -88.67 -16.6 31.95 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.557 0.617 . . . . 0.0 111.288 -171.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.9 mt -75.22 171.9 13.35 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 169.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -119.67 178.52 4.54 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.589 1.156 . . . . 0.0 108.857 170.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.41 -56.42 15.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.231 1.012 . . . . 0.0 111.464 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.63 -47.1 77.17 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.575 0.75 . . . . 0.0 111.433 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -63.51 -56.58 14.93 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.14 0.576 . . . . 0.0 111.338 -178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -61.72 -40.89 96.67 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 119.361 -0.352 . . . . 0.0 111.11 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -58.49 -44.23 89.33 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.444 0.698 . . . . 0.0 110.51 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.1 -50.97 43.45 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -64.7 -39.91 94.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.984 -0.532 . . . . 0.0 111.885 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.66 -45.11 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 119.116 0.871 . . . . 0.0 110.371 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -45.27 94.2 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.922 0.889 . . . . 0.0 110.854 176.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 t -58.41 -45.86 87.56 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.908 0.483 . . . . 0.0 111.346 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tt -58.55 -56.41 22.54 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.742 1.217 . . . . 0.0 109.497 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -53.26 -46.01 69.05 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.679 1.592 . . . . 0.0 111.089 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.29 -46.77 85.24 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.624 1.169 . . . . 0.0 111.399 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -135.01 81.28 45.89 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 123.493 0.717 . . . . 0.0 110.654 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -56.91 -31.35 89.06 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 124.459 3.439 . . . . 0.0 114.086 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -53.79 -44.27 69.98 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.754 0.822 . . . . 0.0 111.619 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -97.47 31.32 2.57 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.634 0.773 . . . . 0.0 111.573 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -57.63 -35.41 70.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.02 0.528 . . . . 0.0 111.365 172.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.93 -44.9 96.56 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.003 0.921 . . . . 0.0 111.313 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.18 -48.65 75.11 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 122.595 0.358 . . . . 0.0 110.07 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -53.98 -47.09 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.949 0.9 . . . . 0.0 110.711 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.75 -47.17 83.24 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.903 0.881 . . . . 0.0 110.467 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.12 -54.04 36.51 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.999 0.809 . . . . 0.0 111.819 177.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -60.07 -44.82 94.46 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.086 0.954 . . . . 0.0 111.103 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.48 86.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.284 0.634 . . . . 0.0 111.254 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -65.74 -40.84 92.55 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.159 0.584 . . . . 0.0 110.765 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -59.38 -46.19 89.36 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.045 0.538 . . . . 0.0 110.119 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 tp -66.97 -44.51 80.3 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.918 0.487 . . . . 0.0 110.706 -178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -54.34 -50.24 67.88 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.602 1.161 . . . . 0.0 110.403 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.21 -49.46 77.54 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.298 1.039 . . . . 0.0 111.114 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.8 p -61.6 -34.79 76.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.7 0.4 . . . . 0.0 111.811 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -89.51 12.56 16.2 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.929 0.892 . . . . 0.0 112.028 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.21 161.02 78.67 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 119.019 0.827 . . . . 0.0 110.722 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.41 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 32.1 Cg_exo -67.25 -171.55 0.3 Allowed 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.312 2.674 . . . . 0.0 112.408 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 55' ' ' PRO . 65.5 tttp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.165 -1.398 . . . . 0.0 109.515 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.562 0.22 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 54.17 42.86 31.35 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.014 1.326 . . . . 0.0 110.437 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -172.98 -54.1 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.012 1.325 . . . . 0.0 108.854 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.98 66.33 5.43 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.534 1.133 . . . . 0.0 110.281 -175.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -90.53 43.95 1.17 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.147 1.379 . . . . 0.0 109.203 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.87 44.51 0.92 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.67 1.188 . . . . 0.0 111.061 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -77.19 -64.86 1.04 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.29 1.036 . . . . 0.0 108.893 -174.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -55.95 -36.36 67.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.169 1.388 . . . . 0.0 111.495 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.36 -54.96 32.78 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.137 0.575 . . . . 0.0 109.982 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.97 -45.85 74.99 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.959 0.504 . . . . 0.0 110.963 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -56.21 -54.26 47.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.695 0.798 . . . . 0.0 110.993 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -60.17 -42.51 95.14 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.876 0.87 . . . . 0.0 111.698 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -63.73 -41.61 98.02 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.128 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.85 -39.06 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 118.644 0.656 . . . . 0.0 110.946 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.83 -45.02 95.65 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.888 0.767 . . . . 0.0 110.255 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -79.91 63.9 4.59 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.148 0.979 . . . . 0.0 110.515 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.5 mmt -125.16 88.61 53.89 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 125.136 1.374 . . . . 0.0 107.49 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.55 -22.44 33.06 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.359 2.706 . . . . 0.0 113.78 -169.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -88.94 -29.44 19.56 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.57 0.623 . . . . 0.0 110.545 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.6 mt -66.58 153.66 42.46 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 117.847 0.294 . . . . 0.0 110.574 175.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -89.88 179.96 5.86 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 169.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -57.64 12.17 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.412 0.685 . . . . 0.0 111.098 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.18 -47.41 62.2 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.864 0.865 . . . . 0.0 111.793 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.12 -59.83 4.79 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.08 0.952 . . . . 0.0 111.578 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -63.04 -46.05 89.37 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.96 0.345 . . . . 0.0 111.109 -174.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -62.46 -35.8 80.46 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.506 0.722 . . . . 0.0 110.971 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.9 59.63 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 172.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -66.18 -36.43 83.07 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 118.444 -0.789 . . . . 0.0 112.012 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -58.28 -46.47 88.91 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 119.744 1.156 . . . . 0.0 110.574 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -61.74 -45.19 95.01 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.041 0.382 . . . . 0.0 110.657 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -57.15 -41.21 78.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.979 0.512 . . . . 0.0 111.399 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.32 -50.85 64.06 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.76 1.224 . . . . 0.0 109.684 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -53.78 -45.87 70.82 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.542 1.137 . . . . 0.0 110.844 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.82 -45.25 75.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.741 0.817 . . . . 0.0 111.109 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -119.14 81.04 20.13 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.907 1.283 . . . . 0.0 109.676 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.08 -15.67 25.75 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.238 2.625 . . . . 0.0 112.41 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -72.72 -47.05 50.31 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.764 0.711 . . . . 0.0 110.495 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -94.1 33.64 1.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.447 0.699 . . . . 0.0 111.889 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -57.21 -34.09 68.18 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.335 0.654 . . . . 0.0 111.935 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.75 99.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.812 0.845 . . . . 0.0 111.169 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.52 -46.81 74.95 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.774 0.43 . . . . 0.0 109.977 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.7 t -57.45 -44.01 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 124.034 0.934 . . . . 0.0 110.811 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.16 -44.44 92.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.36 0.664 . . . . 0.0 110.203 174.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.98 -50.69 57.86 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 123.877 0.751 . . . . 0.0 111.748 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.84 -47.05 86.19 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.961 0.904 . . . . 0.0 110.832 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.35 82.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.493 0.717 . . . . 0.0 111.448 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -59.51 -46.76 87.91 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.296 1.038 . . . . 0.0 110.325 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.68 -49.41 77.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.44 0.696 . . . . 0.0 110.808 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.81 -35.33 80.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.647 0.779 . . . . 0.0 111.05 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -63.48 -53.4 52.62 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.216 1.006 . . . . 0.0 109.683 174.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.14 -48.19 82.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.795 1.238 . . . . 0.0 111.797 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.5 p -60.3 -35.36 75.41 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.615 0.766 . . . . 0.0 111.758 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -88.83 58.3 4.54 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.87 122.13 80.95 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 123.777 0.831 . . . . 0.0 109.788 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -51.34 -42.95 52.25 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.856 3.037 . . . . 0.0 112.928 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 pttp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.917 -1.516 . . . . 0.0 110.083 179.176 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 71.12 138.22 0.04 OUTLIER 'General case' 0 C--N 1.342 0.256 0 C-N-CA 126.581 1.953 . . . . 0.0 111.319 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -144.59 158.63 43.68 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.463 1.105 . . . . 0.0 109.203 -176.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 55.05 51.27 13.72 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.691 1.196 . . . . 0.0 110.53 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -90.05 33.89 0.86 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.641 1.176 . . . . 0.0 110.853 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.95 -46.22 65.76 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.039 0.936 . . . . 0.0 110.345 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -62.98 -44.41 96.12 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.184 0.593 . . . . 0.0 110.322 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -56.05 -49.44 73.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.147 0.979 . . . . 0.0 109.856 174.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -58.25 -46.09 86.6 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.846 0.859 . . . . 0.0 111.194 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.46 -54.87 40.68 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.401 0.546 . . . . 0.0 111.348 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -56.67 -49.05 76.22 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.816 0.847 . . . . 0.0 111.452 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -58.01 -48.85 78.8 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.909 1.284 . . . . 0.0 110.966 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.25 -45.72 92.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.752 0.821 . . . . 0.0 111.23 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.58 -42.64 40.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 118.363 0.529 . . . . 0.0 111.036 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.65 -51.79 52.19 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.086 0.403 . . . . 0.0 110.747 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -82.62 65.46 7.76 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.64 1.176 . . . . 0.0 110.658 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.6 mtt -132.8 99.89 15.03 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 126.214 1.806 . . . . 0.0 106.54 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -45.05 -36.66 11.81 Favored 'Trans proline' 0 C--N 1.348 0.505 1 C-N-CA 125.404 4.069 . . . . 0.0 116.226 -171.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -89.01 -18.5 27.23 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.835 -172.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.7 mt -79.1 122.8 26.68 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.474 0.579 . . . . 0.0 109.588 175.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -89.26 177.24 6.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 172.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.86 -53.36 7.61 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.308 1.443 . . . . 0.0 112.757 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.92 -49.2 63.56 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.549 0.739 . . . . 0.0 111.579 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -68.4 -57.24 6.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.581 0.752 . . . . 0.0 110.467 -174.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -64.84 -41.87 95.37 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.244 0.618 . . . . 0.0 111.806 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -61.33 -41.6 97.29 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.085 0.402 . . . . 0.0 110.237 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.61 -53.32 36.37 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.925 0.774 . . . . 0.0 111.399 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -60.02 -37.99 81.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.157 0.478 . . . . 0.0 111.55 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.48 -37.42 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.712 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.91 -42.04 97.51 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.549 1.068 . . . . 0.0 110.443 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 m -60.29 -41.76 94.05 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.749 0.42 . . . . 0.0 111.134 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.29 -55.43 28.36 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.378 1.071 . . . . 0.0 109.526 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -53.16 -44.62 67.96 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.801 1.24 . . . . 0.0 111.159 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.91 -46.18 90.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.195 0.998 . . . . 0.0 111.387 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -133.86 84.17 44.69 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 123.638 0.775 . . . . 0.0 110.171 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -55.48 -41.53 77.06 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 124.378 3.385 . . . . 0.0 113.471 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -59.02 -29.73 67.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.864 0.466 . . . . 0.0 112.244 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -93.34 20.77 6.71 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.831 0.853 . . . . 0.0 112.492 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.6 m -50.99 -38.54 51.75 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.44 1.018 . . . . 0.0 112.094 171.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.6 85.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.687 0.795 . . . . 0.0 111.478 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.53 -50.65 68.71 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 122.916 0.486 . . . . 0.0 110.204 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.19 -46.92 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.669 1.188 . . . . 0.0 110.788 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.68 -46.66 81.02 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.302 1.041 . . . . 0.0 110.332 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.89 -58.16 13.61 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -58.32 -37.95 76.12 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.683 0.793 . . . . 0.0 111.769 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.05 86.62 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.975 0.51 . . . . 0.0 111.008 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -65.08 -41.55 94.94 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.014 0.37 . . . . 0.0 111.125 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.2 -46.16 86.3 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.707 0.403 . . . . 0.0 110.428 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tp -67.12 -44.53 79.69 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.434 0.294 . . . . 0.0 110.756 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -52.04 -52.99 47.33 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.255 1.022 . . . . 0.0 110.049 174.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.85 -48.71 79.0 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.275 1.03 . . . . 0.0 111.46 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.5 p -63.15 -28.61 70.18 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.919 0.488 . . . . 0.0 112.161 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -88.48 55.22 3.32 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.36 126.44 92.32 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.486 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.6 -42.93 47.95 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.899 3.066 . . . . 0.0 113.011 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.25 1.117 0 CA-C-O 116.883 -1.532 . . . . 0.0 110.097 178.826 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -70.89 122.3 19.69 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -84.1 65.8 8.92 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 t70 61.73 102.48 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.289 1.836 . . . . 0.0 110.195 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -49.25 -49.06 45.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.255 1.422 . . . . 0.0 112.151 -174.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.15 -53.28 60.16 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.304 0.642 . . . . 0.0 111.2 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -55.69 -59.24 5.13 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 124.457 1.103 . . . . 0.0 110.754 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -63.32 -42.01 98.97 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -173.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.8 -52.83 54.71 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 122.842 0.457 . . . . 0.0 110.39 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.22 91.0 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.062 0.545 . . . . 0.0 110.722 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -58.68 -52.49 65.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.242 1.017 . . . . 0.0 111.047 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -54.0 -47.18 71.74 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.142 0.977 . . . . 0.0 110.995 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -61.22 -51.95 66.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.146 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.27 -41.07 59.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 118.836 0.744 . . . . 0.0 111.323 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -59.88 -52.74 64.14 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.253 0.479 . . . . 0.0 110.234 172.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -82.04 62.9 6.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.557 1.143 . . . . 0.0 111.061 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 39.0 mtt -133.36 88.28 35.58 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 125.505 1.522 . . . . 0.0 107.902 172.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -51.13 -29.49 28.79 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 125.007 3.804 . . . . 0.0 115.869 -174.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -88.93 -14.44 36.69 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.336 0.517 . . . . 0.0 112.029 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.9 mt -78.87 146.15 33.79 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.461 0.573 . . . . 0.0 109.98 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -89.48 170.07 10.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.35 0.66 . . . . 0.0 109.358 170.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.7 -55.62 21.38 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.409 1.084 . . . . 0.0 111.786 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.04 -49.16 66.86 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.657 0.783 . . . . 0.0 111.327 -176.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.06 -63.03 1.44 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.374 0.67 . . . . 0.0 110.941 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 ptt85 -58.98 -39.05 80.6 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-O 119.215 -0.422 . . . . 0.0 111.919 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -62.81 -41.89 99.49 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.309 0.504 . . . . 0.0 110.63 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.03 -51.9 43.23 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -60.23 -46.75 88.7 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.448 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.4 mt -53.63 -50.75 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 124.339 1.056 . . . . 0.0 111.042 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -57.48 -52.83 63.8 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.587 0.355 . . . . 0.0 110.088 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.3 t -52.92 -40.81 63.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.355 0.662 . . . . 0.0 111.726 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -55.69 31.65 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.224 1.409 . . . . 0.0 110.602 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.25 -33.52 67.56 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.147 0.579 . . . . 0.0 111.582 -175.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -65.21 -45.27 85.42 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.195 0.598 . . . . 0.0 110.449 174.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -121.66 78.41 38.47 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 124.826 1.25 . . . . 0.0 109.663 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.76 -26.76 38.53 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.225 2.617 . . . . 0.0 111.944 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.2 p -64.11 -14.33 54.04 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.35 0.523 . . . . 0.0 112.267 174.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -116.37 32.28 6.22 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.88 1.272 . . . . 0.0 111.072 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.7 m -55.6 -47.97 75.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.199 0.454 . . . . 0.0 110.579 172.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.51 98.74 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.277 1.031 . . . . 0.0 111.96 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -64.97 -52.03 58.47 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.893 0.477 . . . . 0.0 110.328 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.28 -47.71 68.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 124.358 1.063 . . . . 0.0 110.468 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -54.91 -51.83 64.82 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.395 1.078 . . . . 0.0 110.15 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.57 -57.55 15.31 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.133 0.873 . . . . 0.0 111.781 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -55.87 -49.55 73.06 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.977 0.911 . . . . 0.0 111.078 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.6 87.08 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.491 0.716 . . . . 0.0 111.694 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.46 -43.31 73.52 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 123.177 0.591 . . . . 0.0 111.127 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -61.79 -41.31 97.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.385 0.539 . . . . 0.0 110.768 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.47 -50.81 71.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.694 0.798 . . . . 0.0 110.399 176.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -55.35 -47.18 76.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.312 1.045 . . . . 0.0 110.967 176.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.95 -47.56 85.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.736 1.214 . . . . 0.0 111.17 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.6 p -62.39 -29.71 70.68 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.621 0.368 . . . . 0.0 111.877 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -89.4 4.32 49.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.691 0.796 . . . . 0.0 112.341 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.59 128.48 92.98 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 119.24 0.927 . . . . 0.0 109.914 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -82.05 -162.17 0.17 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.605 2.87 . . . . 0.0 109.52 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 mttp . . . . . 0 C--O 1.25 1.127 0 C-N-CA 125.195 1.398 . . . . 0.0 109.079 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.787 0.327 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -157.35 178.51 10.24 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.486 1.114 . . . . 0.0 109.541 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -136.29 128.46 29.83 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 175.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -81.3 64.19 5.93 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.897 0.879 . . . . 0.0 110.167 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -90.55 40.03 1.0 Allowed 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.29 1.436 . . . . 0.0 110.297 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.77 -48.35 75.46 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.29 1.036 . . . . 0.0 111.614 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -61.95 -53.18 59.23 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.884 0.874 . . . . 0.0 110.571 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -52.42 65.57 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 124.368 1.067 . . . . 0.0 110.274 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -57.63 -47.22 82.81 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.036 0.934 . . . . 0.0 111.381 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.44 -55.52 32.56 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.931 0.492 . . . . 0.0 110.927 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -52.84 -45.76 67.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.329 1.051 . . . . 0.0 111.327 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.36 -52.91 61.75 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.815 1.246 . . . . 0.0 110.835 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -59.87 -44.48 94.14 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.499 0.59 . . . . 0.0 111.41 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.8 t -52.83 -47.05 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.705 0.802 . . . . 0.0 111.019 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -65.85 -55.22 18.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.828 0.285 . . . . 0.0 110.701 174.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -83.8 68.03 9.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.957 1.303 . . . . 0.0 110.561 -173.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.8 mtm -142.03 142.04 23.56 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 124.663 1.185 . . . . 0.0 108.338 169.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.39 -44.59 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.546 2.831 . . . . 0.0 113.396 -169.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -89.53 -17.78 27.92 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -169.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.0 mt -72.71 106.38 4.68 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -88.72 174.39 8.04 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.99 -58.76 1.35 Allowed 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.763 1.625 . . . . 0.0 113.258 -172.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.04 -46.14 64.95 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.063 0.945 . . . . 0.0 111.816 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -68.64 -57.86 5.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.833 0.853 . . . . 0.0 110.22 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -62.01 -43.1 99.56 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.869 0.467 . . . . 0.0 111.405 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -61.36 -43.6 98.59 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.145 0.578 . . . . 0.0 110.312 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.59 -53.4 32.61 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 174.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -62.92 -37.11 85.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 118.962 -0.542 . . . . 0.0 112.395 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.47 -46.2 95.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.856 0.753 . . . . 0.0 110.139 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -62.07 -42.42 99.18 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.151 0.432 . . . . 0.0 110.966 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 m -58.7 -45.25 89.92 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.938 0.495 . . . . 0.0 111.158 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.47 -52.42 65.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.539 1.136 . . . . 0.0 109.622 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -55.44 -49.11 73.31 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.548 1.139 . . . . 0.0 110.666 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.43 -46.05 84.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.889 0.876 . . . . 0.0 111.336 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -118.81 79.02 16.4 Favored Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 125.042 1.337 . . . . 0.0 109.505 -176.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -63.0 -38.05 49.15 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.913 2.409 . . . . 0.0 111.618 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 p -57.86 -30.61 65.95 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.084 0.954 . . . . 0.0 112.261 175.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -89.72 35.39 0.83 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.798 0.839 . . . . 0.0 111.881 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -58.89 -47.17 85.92 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.737 -0.602 . . . . 0.0 110.911 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.46 97.36 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.287 1.035 . . . . 0.0 111.879 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -66.71 -51.57 54.53 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.942 0.497 . . . . 0.0 109.815 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.21 -44.84 66.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 124.194 0.998 . . . . 0.0 110.624 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 mt -53.61 -49.92 66.77 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.304 0.641 . . . . 0.0 110.645 172.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.8 -58.44 8.46 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 123.953 0.787 . . . . 0.0 111.877 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.45 -39.83 94.64 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.142 0.471 . . . . 0.0 111.753 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.94 -51.37 64.71 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.213 0.605 . . . . 0.0 111.402 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -58.09 -45.63 86.86 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.743 0.817 . . . . 0.0 110.635 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -47.01 87.37 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.215 0.606 . . . . 0.0 111.336 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.84 -41.34 91.88 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.12 0.568 . . . . 0.0 110.286 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -58.44 -48.6 80.19 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.008 0.523 . . . . 0.0 110.357 175.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.1 -49.55 76.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.932 0.893 . . . . 0.0 111.116 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.9 p -62.67 -29.73 70.86 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -89.35 7.5 35.41 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.611 0.764 . . . . 0.0 111.964 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.71 90.83 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 119.16 0.891 . . . . 0.0 109.692 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 28.1 Cg_endo -82.27 -160.38 0.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.606 2.871 . . . . 0.0 109.405 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 55' ' ' PRO . 66.7 tttm . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.244 -1.36 . . . . 0.0 109.533 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.85 -52.97 45.88 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.495 0.718 . . . . 0.0 111.123 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 t60 72.91 -54.09 0.7 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 126.384 1.874 . . . . 0.0 111.036 -171.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -55.42 138.39 46.12 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 123.637 0.775 . . . . 0.0 109.886 173.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -90.67 21.53 3.99 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.119 0.568 . . . . 0.0 111.511 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.74 -51.13 5.53 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 124.925 1.29 . . . . 0.0 111.011 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.14 -58.73 3.27 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -79.41 44.09 0.58 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.842 1.257 . . . . 0.0 111.19 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -74.95 -48.75 22.85 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.829 -0.545 . . . . 0.0 110.815 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.9 -46.69 81.78 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.055 0.542 . . . . 0.0 110.352 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -54.73 -52.03 63.77 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.762 1.225 . . . . 0.0 111.203 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -56.5 -46.23 80.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.604 0.761 . . . . 0.0 110.907 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -61.49 -43.67 98.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.826 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.63 -45.09 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 118.753 0.706 . . . . 0.0 110.534 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.26 -38.01 87.65 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 117.947 0.34 . . . . 0.0 111.527 174.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -68.4 -25.33 64.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.238 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.2 mmt -52.49 114.57 5.79 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 119.1 0.864 . . . . 0.0 110.846 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.98 -32.52 5.34 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.708 2.272 . . . . 0.0 113.437 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -89.47 -16.83 29.92 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.5 mt -68.77 157.04 37.21 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.771 0.714 . . . . 0.0 110.661 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -99.77 177.94 4.98 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.407 0.683 . . . . 0.0 109.335 169.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.95 -58.17 9.3 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.764 0.826 . . . . 0.0 111.276 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.52 -45.69 63.0 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.78 0.832 . . . . 0.0 111.841 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.88 -59.48 5.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.934 0.894 . . . . 0.0 111.359 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -61.55 -40.48 94.86 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 117.948 0.34 . . . . 0.0 111.191 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.39 -39.94 92.52 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.585 0.754 . . . . 0.0 110.707 175.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.94 -50.94 61.34 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -63.79 -39.23 93.74 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.451 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.99 -47.87 82.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 118.954 0.797 . . . . 0.0 110.143 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -47.26 80.43 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.53 0.732 . . . . 0.0 110.766 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m -59.4 -40.19 85.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.499 0.72 . . . . 0.0 111.305 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.53 -53.8 46.23 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.604 1.162 . . . . 0.0 109.298 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.08 -44.32 74.75 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.674 1.19 . . . . 0.0 111.202 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.99 -47.08 66.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.196 0.998 . . . . 0.0 111.177 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -122.28 76.2 42.73 Favored Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 125.035 1.334 . . . . 0.0 109.708 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.88 -32.78 44.81 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.007 2.471 . . . . 0.0 111.185 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.1 p -54.8 -36.48 64.98 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.061 0.944 . . . . 0.0 111.568 171.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -96.14 20.12 10.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.023 0.929 . . . . 0.0 112.384 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.5 p -53.85 -36.56 62.71 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.77 0.714 . . . . 0.0 112.439 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.82 88.84 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.918 0.887 . . . . 0.0 111.398 177.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -64.42 -47.3 79.65 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 123.178 0.591 . . . . 0.0 109.972 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -56.21 -48.55 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.201 1.0 . . . . 0.0 110.51 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.25 -43.37 92.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.743 0.817 . . . . 0.0 110.443 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.51 -51.36 55.19 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.936 0.779 . . . . 0.0 111.63 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -66.1 -37.1 84.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.563 0.745 . . . . 0.0 111.666 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.44 -47.81 84.01 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.783 0.433 . . . . 0.0 110.609 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -63.91 -39.77 94.93 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.778 0.831 . . . . 0.0 111.015 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.22 -49.54 75.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.007 0.923 . . . . 0.0 110.493 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 tp -65.8 -40.97 92.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.06 0.544 . . . . 0.0 110.307 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -57.47 -48.89 77.99 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.895 0.878 . . . . 0.0 110.825 174.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.11 -47.39 84.82 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.139 0.976 . . . . 0.0 111.028 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.3 p -59.95 -35.22 74.48 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.832 0.453 . . . . 0.0 111.615 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -89.67 9.14 28.14 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.01 0.924 . . . . 0.0 112.369 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.96 120.01 78.64 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 119.18 0.9 . . . . 0.0 110.784 -177.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.25 -48.3 0.64 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.245 1.963 . . . . 0.0 109.877 176.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.743 -1.122 . . . . 0.0 111.075 172.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -140.49 148.11 40.61 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.311 1.044 . . . . 0.0 109.639 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 57.1 47.46 17.28 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.706 1.202 . . . . 0.0 108.912 -173.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -157.96 166.11 33.44 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.447 1.099 . . . . 0.0 109.716 -168.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -53.15 -20.95 4.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.46 1.104 . . . . 0.0 112.941 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -42.08 -36.91 1.26 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.009 1.324 . . . . 0.0 112.746 170.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.69 -61.6 2.31 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.473 0.709 . . . . 0.0 110.878 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -64.23 -35.01 79.41 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.344 0.258 . . . . 0.0 111.558 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -63.02 -49.0 76.35 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.052 0.941 . . . . 0.0 110.013 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.95 81.76 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.044 0.538 . . . . 0.0 110.746 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -53.45 -51.57 62.26 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.004 0.922 . . . . 0.0 110.949 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -54.49 -55.13 32.11 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.884 1.274 . . . . 0.0 110.751 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -57.84 -45.57 86.04 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.383 0.673 . . . . 0.0 112.147 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.11 -45.96 77.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.873 0.869 . . . . 0.0 110.559 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.1 -37.7 88.25 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.572 0.349 . . . . 0.0 111.464 174.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -69.11 -24.56 64.14 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.127 -0.94 . . . . 0.0 113.222 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.0 mmt -52.95 115.91 8.23 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 119.198 0.908 . . . . 0.0 110.831 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.99 -29.95 7.71 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.628 2.218 . . . . 0.0 113.124 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -89.42 -20.68 23.65 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -169.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.92 158.45 32.68 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.652 0.66 . . . . 0.0 110.932 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -101.99 177.12 4.98 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.684 0.794 . . . . 0.0 109.27 169.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.17 -55.8 28.71 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.954 0.902 . . . . 0.0 111.518 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -53.97 -45.71 71.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.621 0.768 . . . . 0.0 111.687 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.33 -58.28 8.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.815 0.846 . . . . 0.0 111.26 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -61.78 -40.85 96.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 117.878 0.308 . . . . 0.0 111.289 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.15 -43.01 96.08 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.52 0.728 . . . . 0.0 110.504 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.45 -50.68 55.88 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -65.63 -37.94 87.98 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 119.023 -0.513 . . . . 0.0 111.877 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mt -58.0 -49.91 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 118.907 0.776 . . . . 0.0 110.106 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -60.0 -44.24 94.66 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.763 177.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 t -57.14 -41.39 79.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.055 0.542 . . . . 0.0 111.32 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.3 -55.0 38.98 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.35 1.06 . . . . 0.0 109.544 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -57.4 -43.5 83.77 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.467 1.107 . . . . 0.0 111.539 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.41 -46.24 64.35 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.948 0.899 . . . . 0.0 111.03 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -127.55 72.28 77.76 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.595 1.158 . . . . 0.0 110.14 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -71.25 -18.46 30.28 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.41 2.74 . . . . 0.0 111.815 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.6 p -49.52 -41.36 40.79 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.72 1.208 . . . . 0.0 111.544 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -114.25 43.63 1.84 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.146 0.978 . . . . 0.0 110.595 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.1 t -54.82 -40.34 69.44 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.296 0.638 . . . . 0.0 111.117 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.63 -43.68 85.0 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.012 0.925 . . . . 0.0 111.534 175.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -63.8 -48.3 77.43 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 122.704 0.402 . . . . 0.0 110.097 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -54.24 -44.32 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.997 0.919 . . . . 0.0 110.831 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.31 -53.85 53.47 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.716 0.806 . . . . 0.0 109.49 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.33 -56.36 19.91 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.54 1.067 . . . . 0.0 112.653 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.45 -32.8 74.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.62 0.768 . . . . 0.0 111.999 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.41 92.3 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.192 0.451 . . . . 0.0 110.403 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -39.87 95.84 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.972 0.509 . . . . 0.0 110.213 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.03 -49.39 77.83 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.977 -0.452 . . . . 0.0 110.512 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.95 -43.66 98.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.784 0.434 . . . . 0.0 110.598 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -53.2 -58.11 8.18 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.845 1.258 . . . . 0.0 110.668 174.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -59.93 -48.34 82.1 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.823 1.249 . . . . 0.0 111.713 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.5 p -65.53 -18.96 65.71 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -88.81 -67.43 0.84 Allowed 'General case' 0 C--N 1.341 0.216 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 41.59 68.14 2.74 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 124.922 1.289 . . . . 0.0 113.401 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -82.49 -162.45 0.18 Allowed 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 123.8 3.0 . . . . 0.0 109.409 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 C--O 1.251 1.132 0 CA-C-O 117.131 -1.414 . . . . 0.0 109.829 178.714 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -71.49 -55.3 8.15 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.811 0.845 . . . . 0.0 109.321 176.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -151.72 63.95 0.86 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 42.95 36.07 0.84 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.5 1.92 . . . . 0.0 113.665 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -44.07 95.84 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.595 1.158 . . . . 0.0 111.48 -176.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.39 94.82 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.324 0.65 . . . . 0.0 110.859 177.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -63.18 -56.95 12.41 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.859 0.864 . . . . 0.0 110.925 -177.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -62.34 -36.67 82.94 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 119.37 -0.348 . . . . 0.0 111.403 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.82 -46.33 85.59 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.849 0.46 . . . . 0.0 110.648 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.69 84.3 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.939 0.495 . . . . 0.0 110.862 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.09 -50.81 72.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.411 1.085 . . . . 0.0 110.658 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -58.08 -46.61 85.19 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.66 1.184 . . . . 0.0 111.248 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -57.68 -45.81 85.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.783 -0.627 . . . . 0.0 110.835 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.22 -41.13 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 118.64 0.655 . . . . 0.0 111.215 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 99.0 mt -58.55 -44.09 89.55 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.966 0.803 . . . . 0.0 110.62 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -87.11 69.85 10.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.143 0.977 . . . . 0.0 109.969 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.3 mmt -124.34 92.86 47.51 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 125.087 1.355 . . . . 0.0 109.043 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.38 -34.6 71.81 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 124.854 3.703 . . . . 0.0 115.557 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.57 -36.61 16.24 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.194 0.452 . . . . 0.0 110.223 -170.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.93 166.32 7.58 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.205 0.526 . . . . 0.0 110.77 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -108.04 -176.47 3.07 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.585 1.154 . . . . 0.0 108.961 169.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -56.14 25.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.689 0.796 . . . . 0.0 111.243 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.63 -46.89 70.64 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.306 0.643 . . . . 0.0 111.645 -177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -61.52 -58.52 7.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.415 0.686 . . . . 0.0 111.577 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -62.29 -40.14 95.28 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -63.64 -35.75 81.55 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.83 0.452 . . . . 0.0 110.82 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.39 -49.36 79.45 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.911 0.767 . . . . 0.0 111.368 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -58.09 -45.53 87.03 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.277 0.631 . . . . 0.0 110.961 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mt -55.1 -44.67 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 123.189 0.596 . . . . 0.0 110.952 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -49.76 73.93 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.794 0.837 . . . . 0.0 110.86 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -54.75 -42.9 72.21 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.225 0.61 . . . . 0.0 110.929 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -46.09 90.03 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.031 0.533 . . . . 0.0 110.593 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.05 -42.47 94.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.89 0.876 . . . . 0.0 111.27 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -56.68 -40.26 75.24 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.246 0.618 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -145.96 97.38 4.53 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -47.41 -34.93 20.29 Favored 'Trans proline' 0 C--N 1.348 0.531 1 C-N-CA 125.566 4.177 . . . . 0.0 115.266 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -64.87 -8.49 15.57 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -88.86 37.38 0.84 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.902 0.774 . . . . 0.0 110.43 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -65.59 -58.37 5.92 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.752 -0.593 . . . . 0.0 109.805 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.15 96.87 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.246 1.018 . . . . 0.0 111.633 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -59.32 -58.87 6.71 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.924 0.89 . . . . 0.0 110.413 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.73 -44.04 80.69 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.643 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.35 -46.91 69.71 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.566 0.621 . . . . 0.0 111.208 174.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.99 -62.56 5.83 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.916 0.769 . . . . 0.0 111.544 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.57 -41.72 96.1 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.057 0.429 . . . . 0.0 111.822 -176.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.56 -51.64 67.74 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.407 0.683 . . . . 0.0 111.25 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -66.06 -40.13 90.67 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.96 0.504 . . . . 0.0 110.978 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -50.86 71.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.879 0.472 . . . . 0.0 110.23 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.92 -51.0 71.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.106 0.562 . . . . 0.0 109.933 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -50.17 -60.39 3.01 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.266 1.027 . . . . 0.0 110.269 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.31 -52.55 61.16 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.781 0.832 . . . . 0.0 111.327 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -64.18 -6.22 6.27 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -173.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -88.66 -38.73 14.56 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.025 0.829 . . . . 0.0 109.975 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.54 82.48 1.64 Allowed Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 123.859 0.864 . . . . 0.0 109.969 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.03 -49.16 16.93 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.584 3.523 . . . . 0.0 112.686 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt . . . . . 0 C--O 1.251 1.139 0 CA-C-O 117.186 -1.388 . . . . 0.0 109.154 174.806 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.01 -37.52 87.74 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.868 0.867 . . . . 0.0 112.483 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -130.4 -51.49 1.09 Allowed 'General case' 0 C--N 1.341 0.231 0 C-N-CA 124.226 1.01 . . . . 0.0 110.686 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 59.19 28.82 18.24 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.885 1.274 . . . . 0.0 111.508 -172.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.2 -36.07 78.98 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.824 0.849 . . . . 0.0 111.164 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.55 -47.41 81.68 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.619 0.768 . . . . 0.0 110.488 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -57.3 -52.16 66.45 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 123.66 0.784 . . . . 0.0 109.629 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -56.97 -50.35 72.94 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.711 1.604 . . . . 0.0 111.297 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -57.82 -49.69 75.8 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.266 1.027 . . . . 0.0 110.766 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.49 87.02 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.188 0.595 . . . . 0.0 111.069 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.66 -51.68 66.42 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.7 1.2 . . . . 0.0 110.717 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -58.39 -49.18 78.18 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.64 0.776 . . . . 0.0 110.915 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -56.74 -49.99 73.59 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 119.204 -0.426 . . . . 0.0 111.044 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.5 t -53.51 -44.31 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.583 0.753 . . . . 0.0 111.344 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.27 -52.95 59.92 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.298 0.499 . . . . 0.0 110.949 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -81.13 71.33 8.1 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.059 0.944 . . . . 0.0 110.392 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.4 mtt -135.25 93.46 16.76 Favored Pre-proline 0 CA--C 1.532 0.268 0 C-N-CA 125.44 1.496 . . . . 0.0 109.052 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -51.72 -29.6 34.19 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 124.981 3.788 . . . . 0.0 115.424 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.67 -31.13 18.66 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 118.49 0.586 . . . . 0.0 110.34 -172.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 mt -68.5 144.2 54.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.177 0.444 . . . . 0.0 110.556 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -89.56 172.49 8.93 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 169.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.28 -53.62 51.28 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.823 0.849 . . . . 0.0 111.745 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.74 -49.32 68.42 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.574 0.75 . . . . 0.0 111.486 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -58.86 -58.96 6.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.68 0.792 . . . . 0.0 111.52 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -63.92 -46.65 83.84 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.709 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -61.93 -36.31 80.99 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.163 0.438 . . . . 0.0 110.667 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.67 -53.5 32.39 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 171.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -61.78 -37.22 83.51 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.751 -0.642 . . . . 0.0 112.327 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.42 -48.98 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 119.445 1.02 . . . . 0.0 110.338 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -61.29 -39.87 92.03 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.152 0.433 . . . . 0.0 111.162 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -60.29 -39.53 87.25 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.13 0.423 . . . . 0.0 111.396 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.76 -53.63 51.44 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.1 0.96 . . . . 0.0 109.408 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -54.25 -47.37 72.33 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.773 0.829 . . . . 0.0 111.219 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.39 -45.51 79.78 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.772 0.829 . . . . 0.0 111.496 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -120.29 77.88 26.18 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 125.043 1.337 . . . . 0.0 109.571 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.0 -36.44 38.17 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.072 2.514 . . . . 0.0 111.176 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 p -54.82 -42.44 71.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.105 0.962 . . . . 0.0 111.318 172.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -89.98 22.56 3.14 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.769 0.827 . . . . 0.0 112.185 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.3 t -57.12 -37.19 71.62 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.24 0.927 . . . . 0.0 111.37 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.44 92.1 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.83 0.852 . . . . 0.0 111.416 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -63.2 -51.68 65.35 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.43 0.692 . . . . 0.0 109.992 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.11 -47.87 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 125.033 1.333 . . . . 0.0 110.729 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.49 -50.37 73.98 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.167 0.587 . . . . 0.0 110.249 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.85 -52.15 40.75 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 123.835 0.731 . . . . 0.0 111.837 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -56.81 -43.56 81.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.263 1.025 . . . . 0.0 110.845 177.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.96 -44.18 90.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.427 0.691 . . . . 0.0 111.974 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.99 -48.33 80.32 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.062 0.945 . . . . 0.0 110.355 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -61.72 -51.59 67.73 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.516 0.726 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.46 -38.03 88.2 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.095 0.558 . . . . 0.0 110.816 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -58.38 -67.04 0.39 Allowed 'General case' 0 C--N 1.341 0.197 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -49.79 -52.6 30.83 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.171 0.989 . . . . 0.0 111.734 -173.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.1 p -55.67 -24.21 32.83 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -176.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -88.75 -22.12 23.48 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.899 -176.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -161.38 76.66 2.37 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 119.116 0.871 . . . . 0.0 111.807 170.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.64 -46.34 32.44 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 124.412 3.408 . . . . 0.0 113.101 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttp . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.188 -1.387 . . . . 0.0 109.317 179.415 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.674 0 CA-C-O 120.605 0.24 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -34.66 78.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.248 1.019 . . . . 0.0 111.806 178.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -136.57 96.02 3.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 57.19 -135.51 1.12 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -175.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.89 17.28 8.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.999 1.32 . . . . 0.0 113.149 173.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.3 73.14 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 119.237 0.926 . . . . 0.0 113.353 -171.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -59.06 -60.26 4.15 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.16 0.584 . . . . 0.0 111.137 -177.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -67.15 -37.9 84.57 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.338 0.655 . . . . 0.0 111.32 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -61.78 -51.11 69.66 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.755 0.822 . . . . 0.0 110.416 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.36 47.86 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.654 0.781 . . . . 0.0 110.381 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -53.01 -51.24 62.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.989 0.916 . . . . 0.0 111.632 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -58.19 -50.36 73.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.045 0.938 . . . . 0.0 111.061 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.22 -45.5 93.08 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.404 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.2 t -55.65 -45.61 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.919 0.888 . . . . 0.0 110.64 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.65 -56.66 18.57 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 173.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -85.75 56.61 4.04 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.373 1.069 . . . . 0.0 109.956 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.2 tpp -115.68 103.42 53.82 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -45.32 -45.13 15.63 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.768 3.645 . . . . 0.0 116.27 -170.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -97.35 13.48 29.5 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -168.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -106.31 129.12 54.39 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 119.051 0.841 . . . . 0.0 110.461 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -89.7 178.54 6.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.005 0.922 . . . . 0.0 108.855 169.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.78 -49.72 14.74 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 125.519 1.528 . . . . 0.0 113.385 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -54.54 -60.15 3.74 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.086 0.554 . . . . 0.0 111.396 -173.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -62.95 -54.75 33.59 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.955 0.502 . . . . 0.0 111.222 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -61.06 -43.38 98.97 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.35 -41.74 98.88 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.293 0.497 . . . . 0.0 110.503 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.63 -50.26 54.36 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.83 -41.29 95.87 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 118.852 -0.594 . . . . 0.0 111.733 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.5 -45.69 85.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.994 0.816 . . . . 0.0 110.265 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -63.0 -41.87 99.7 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.049 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -58.76 -42.24 88.46 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.52 0.6 . . . . 0.0 111.052 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.22 -50.01 75.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.216 1.406 . . . . 0.0 109.475 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -57.96 -44.47 87.03 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.778 1.231 . . . . 0.0 111.077 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -65.67 -43.19 90.09 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.11 0.964 . . . . 0.0 111.072 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -130.26 80.7 70.13 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 124.047 0.939 . . . . 0.0 110.345 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -50.81 -46.01 32.65 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 124.323 3.349 . . . . 0.0 112.285 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.2 p -50.05 -40.78 46.21 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.055 1.342 . . . . 0.0 112.056 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -89.8 18.58 5.46 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.876 0.87 . . . . 0.0 112.694 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 p -49.62 -41.21 41.77 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.97 0.908 . . . . 0.0 112.369 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.75 83.67 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.967 0.907 . . . . 0.0 111.82 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -64.08 -48.25 76.9 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.831 0.452 . . . . 0.0 110.155 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -55.33 -45.02 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 124.506 1.122 . . . . 0.0 110.651 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.38 -49.4 77.95 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.373 0.669 . . . . 0.0 110.078 174.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.58 -48.74 55.0 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 123.747 0.689 . . . . 0.0 112.136 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -60.92 -46.36 91.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.487 1.115 . . . . 0.0 110.797 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.76 95.0 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.317 0.647 . . . . 0.0 111.71 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -68.28 -38.58 81.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.208 0.603 . . . . 0.0 110.875 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -63.46 -46.6 85.46 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.694 0.797 . . . . 0.0 110.318 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -54.18 47.26 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.518 1.127 . . . . 0.0 108.691 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -53.79 -48.11 70.14 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.779 0.832 . . . . 0.0 111.657 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.83 -45.6 93.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.31 1.044 . . . . 0.0 111.202 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -62.7 -37.49 86.67 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.587 -0.244 . . . . 0.0 110.866 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -89.94 37.64 0.89 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.681 0.792 . . . . 0.0 111.46 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.28 124.63 91.28 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -82.53 -161.1 0.14 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.597 2.864 . . . . 0.0 109.339 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.289 -1.339 . . . . 0.0 109.887 178.543 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 119.853 -0.118 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -56.44 -49.43 74.59 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.015 0.926 . . . . 0.0 111.477 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -60.03 -46.2 90.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.537 0.735 . . . . 0.0 111.124 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.74 -50.09 74.86 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.844 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.05 -42.2 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.807 0.843 . . . . 0.0 111.153 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.2 mt -57.87 -52.96 63.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.285 0.493 . . . . 0.0 110.044 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -82.29 62.72 6.13 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.819 0.848 . . . . 0.0 110.785 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.8 mmt -114.76 92.7 30.71 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 169.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.1 -20.04 25.58 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.283 2.656 . . . . 0.0 113.342 -169.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -89.06 -29.27 19.55 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.317 0.508 . . . . 0.0 110.186 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.13 147.21 48.63 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -89.45 163.55 15.21 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 169.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.33 -55.55 8.58 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.673 1.189 . . . . 0.0 112.751 -171.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -50.23 -42.86 52.5 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.761 0.824 . . . . 0.0 112.837 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -68.18 -56.18 9.66 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 122.651 0.38 . . . . 0.0 110.858 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -60.69 -39.28 87.9 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -60.58 -43.81 96.91 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.5 0.72 . . . . 0.0 110.29 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.84 -50.97 41.85 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -64.38 -36.3 83.71 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.843 -0.598 . . . . 0.0 112.419 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.43 -49.14 84.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 119.276 0.944 . . . . 0.0 110.025 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -62.59 -36.82 83.95 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.833 0.288 . . . . 0.0 111.242 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -62.46 -40.17 95.77 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.085 0.402 . . . . 0.0 111.08 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.99 -54.89 39.38 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.111 0.965 . . . . 0.0 109.137 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -53.55 -47.31 70.15 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.037 0.935 . . . . 0.0 111.355 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.98 -42.58 84.87 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.901 0.88 . . . . 0.0 111.694 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -122.2 74.39 39.77 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 125.168 1.387 . . . . 0.0 109.42 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.15 -37.52 31.84 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.27 2.646 . . . . 0.0 111.768 -174.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.6 p -60.69 -28.18 68.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.174 0.59 . . . . 0.0 111.872 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -98.17 25.35 6.23 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.056 0.942 . . . . 0.0 112.132 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -55.89 -38.16 69.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.701 0.682 . . . . 0.0 111.979 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.03 88.16 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.664 0.786 . . . . 0.0 111.347 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -63.36 -51.17 67.0 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 123.28 0.632 . . . . 0.0 110.432 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.23 -46.6 68.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.53 1.132 . . . . 0.0 110.703 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.22 -47.24 86.09 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.98 0.912 . . . . 0.0 110.586 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.61 -51.53 54.22 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.777 0.703 . . . . 0.0 111.642 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.77 -47.68 83.86 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.385 1.074 . . . . 0.0 110.837 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.59 -47.29 86.17 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.519 0.728 . . . . 0.0 111.535 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -65.05 -42.36 94.33 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.374 0.67 . . . . 0.0 110.918 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -62.2 -44.53 96.38 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.381 0.672 . . . . 0.0 110.499 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.67 -46.73 81.19 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.65 0.38 . . . . 0.0 110.077 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -55.0 -47.05 75.16 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.22 1.008 . . . . 0.0 110.825 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.64 -50.24 74.32 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.045 0.938 . . . . 0.0 111.049 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.3 p -62.17 -34.46 76.45 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.78 0.432 . . . . 0.0 111.858 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 123.888 0.875 . . . . 0.0 111.933 178.907 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 CA-C-O 119.891 -0.099 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -53.65 -54.65 34.72 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.364 1.066 . . . . 0.0 111.006 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -61.84 -50.93 70.3 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 122.924 0.49 . . . . 0.0 110.788 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -55.18 -49.07 72.81 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.505 0.722 . . . . 0.0 112.041 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.23 -41.09 91.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 122.954 0.501 . . . . 0.0 111.975 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.92 -41.07 99.34 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.442 0.564 . . . . 0.0 110.243 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -83.32 58.49 4.52 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.475 1.11 . . . . 0.0 110.399 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.6 mmt -118.39 133.81 23.48 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 124.938 1.295 . . . . 0.0 108.495 175.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.69 -43.76 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.046 2.497 . . . . 0.0 112.648 -174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -89.8 -29.14 18.85 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.966 0.506 . . . . 0.0 112.293 -169.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.8 133.93 53.02 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.462 0.574 . . . . 0.0 110.713 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -89.64 170.07 10.78 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.576 0.751 . . . . 0.0 109.257 169.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.36 -56.47 8.04 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.967 1.307 . . . . 0.0 112.649 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -51.1 -45.28 61.45 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.582 0.753 . . . . 0.0 111.846 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.65 -62.53 1.4 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.809 0.844 . . . . 0.0 110.789 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -61.89 -48.25 81.34 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.04 0.536 . . . . 0.0 111.648 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -63.54 -40.6 97.44 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.119 0.568 . . . . 0.0 110.561 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.21 -50.45 55.83 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.12 -36.05 82.31 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.988 0.394 . . . . 0.0 111.529 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.96 -43.66 92.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 118.55 0.614 . . . . 0.0 110.938 173.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -63.17 -37.47 87.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.591 0.632 . . . . 0.0 110.954 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 t -61.5 -41.52 97.41 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.192 0.451 . . . . 0.0 110.86 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -54.13 50.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.003 0.921 . . . . 0.0 109.777 177.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -56.16 -46.92 79.12 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.589 1.156 . . . . 0.0 110.899 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.15 -49.25 78.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.327 1.051 . . . . 0.0 111.303 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -131.36 91.69 34.32 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.864 0.866 . . . . 0.0 109.619 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -46.19 -38.27 19.51 Favored 'Trans proline' 0 N--CA 1.46 -0.478 1 C-N-CA 125.43 4.086 . . . . 0.0 115.444 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.4 p -56.79 -25.73 56.15 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.505 0.722 . . . . 0.0 112.806 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -89.65 36.59 0.85 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.982 0.913 . . . . 0.0 111.521 -173.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.7 p -69.4 -54.0 16.59 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.695 0.679 . . . . 0.0 110.078 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.31 -41.7 85.1 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.353 1.061 . . . . 0.0 111.023 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -60.79 -53.05 62.07 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.697 0.799 . . . . 0.0 110.544 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 t -54.45 -49.61 64.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 C-N-CA 124.702 1.201 . . . . 0.0 111.016 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.6 -50.26 73.72 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.964 0.906 . . . . 0.0 110.05 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.74 -59.5 10.71 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.548 1.07 . . . . 0.0 112.4 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.2 -37.94 87.24 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 117.439 0.619 . . . . 0.0 111.506 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.89 67.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.247 0.619 . . . . 0.0 110.932 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -62.17 -40.32 95.63 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.915 0.486 . . . . 0.0 110.924 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.82 -49.01 78.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.663 0.785 . . . . 0.0 110.543 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.75 -42.88 97.77 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.212 0.605 . . . . 0.0 110.372 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.06 -52.56 64.8 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.077 0.951 . . . . 0.0 110.205 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.48 -48.42 80.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.538 1.135 . . . . 0.0 111.246 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.1 p -60.55 -34.97 74.91 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.05 0.54 . . . . 0.0 111.433 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.515 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 119.846 -0.121 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -54.19 -49.43 69.36 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.541 0.736 . . . . 0.0 111.268 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -60.87 -47.47 86.22 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.414 0.685 . . . . 0.0 111.32 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -57.93 -50.81 72.07 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.748 0.419 . . . . 0.0 110.835 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.32 -42.19 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 123.223 0.609 . . . . 0.0 111.153 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -40.7 83.62 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.247 0.476 . . . . 0.0 111.356 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -71.03 -68.35 0.44 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.246 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.3 mtt -5.56 85.37 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 C-N-CA 129.069 2.948 . . . . 0.0 114.275 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -52.76 -28.39 38.03 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 124.848 3.699 . . . . 0.0 116.155 -170.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -88.71 -16.77 31.43 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.518 0.599 . . . . 0.0 111.723 -170.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.74 154.85 41.05 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.505 0.593 . . . . 0.0 110.078 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -96.4 177.22 5.77 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 168.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.04 -56.82 16.75 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.504 0.722 . . . . 0.0 111.32 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -52.67 -46.44 67.2 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.756 0.823 . . . . 0.0 111.644 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.47 -59.52 5.26 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.828 0.851 . . . . 0.0 111.173 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -62.54 -41.92 99.2 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 117.998 0.363 . . . . 0.0 111.578 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -62.03 -41.15 97.8 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.034 0.534 . . . . 0.0 110.681 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.09 -50.73 58.02 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -65.06 -36.91 85.84 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.993 -0.527 . . . . 0.0 111.867 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.6 -45.41 97.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 119.11 0.868 . . . . 0.0 110.231 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -62.69 -39.04 92.71 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.097 0.408 . . . . 0.0 111.0 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -61.9 -42.38 99.01 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.844 0.458 . . . . 0.0 111.011 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.53 -54.82 38.1 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.742 1.217 . . . . 0.0 109.255 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.68 -45.37 73.91 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.38 1.472 . . . . 0.0 111.233 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.95 -45.58 67.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.621 0.768 . . . . 0.0 111.263 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -120.4 76.02 25.03 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 109.54 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.36 -36.73 33.95 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.99 2.46 . . . . 0.0 111.36 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.5 p -55.85 -30.03 60.82 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.847 0.859 . . . . 0.0 112.176 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.91 15.61 21.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.256 1.023 . . . . 0.0 111.9 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 t -55.41 -35.43 65.35 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.139 0.881 . . . . 0.0 112.446 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.29 95.78 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.572 0.749 . . . . 0.0 111.258 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.13 -47.01 78.62 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.138 0.575 . . . . 0.0 110.254 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.4 t -55.51 -48.33 77.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 124.594 1.158 . . . . 0.0 110.441 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 tp -55.7 -47.43 76.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.591 0.756 . . . . 0.0 110.329 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.67 -60.33 8.83 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.075 0.845 . . . . 0.0 112.247 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -64.42 -35.38 80.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.282 0.541 . . . . 0.0 112.092 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.16 81.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.839 0.456 . . . . 0.0 110.651 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -63.17 -39.11 93.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.533 0.733 . . . . 0.0 110.618 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -61.12 -46.51 90.28 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.174 0.59 . . . . 0.0 110.413 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.74 -44.12 91.16 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.469 0.308 . . . . 0.0 110.692 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -54.41 -54.46 40.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.894 0.877 . . . . 0.0 110.096 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.34 -48.63 79.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.495 1.118 . . . . 0.0 111.528 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.4 p -60.52 -31.84 70.9 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.61 0.764 . . . . 0.0 111.861 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -56.36 -52.06 65.98 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.164 0.986 . . . . 0.0 111.111 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -58.18 -45.83 86.85 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.128 0.571 . . . . 0.0 110.654 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -59.15 -49.05 79.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.263 0.625 . . . . 0.0 111.343 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.05 -40.17 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.296 0.638 . . . . 0.0 111.278 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.67 -41.24 96.22 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.365 0.529 . . . . 0.0 111.214 173.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -67.19 -36.85 82.61 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.57 0.748 . . . . 0.0 112.552 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.9 mtt -50.05 113.21 3.25 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 124.62 1.168 . . . . 0.0 110.979 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.83 -26.15 4.76 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.95 2.433 . . . . 0.0 113.76 -169.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -88.96 -13.25 39.39 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 118.722 0.692 . . . . 0.0 112.561 -169.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.19 147.27 51.55 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.469 0.577 . . . . 0.0 109.772 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -89.92 175.29 7.26 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.56 -54.77 41.98 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.606 0.763 . . . . 0.0 111.37 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.83 -45.7 74.49 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.884 0.874 . . . . 0.0 111.449 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.76 -60.83 3.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.187 0.995 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -60.34 -42.88 96.58 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 119.256 -0.402 . . . . 0.0 110.947 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -59.92 -44.25 94.42 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.537 0.735 . . . . 0.0 110.854 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.18 -52.8 44.72 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -58.68 -51.51 69.62 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.19 0.596 . . . . 0.0 111.246 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.6 mt -50.44 -54.72 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.942 1.297 . . . . 0.0 110.798 178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -64.02 -44.53 92.29 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.133 0.573 . . . . 0.0 111.346 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -54.31 -45.33 72.57 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.97 0.508 . . . . 0.0 110.58 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -46.27 82.84 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.073 0.949 . . . . 0.0 110.848 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.33 -44.77 80.33 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.067 0.947 . . . . 0.0 110.526 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -65.51 -45.78 82.21 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.732 0.813 . . . . 0.0 110.799 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -120.46 78.12 27.72 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 124.796 1.238 . . . . 0.0 109.763 -174.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -62.89 -25.81 74.37 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.539 2.826 . . . . 0.0 112.61 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -54.07 -31.64 52.31 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.867 0.867 . . . . 0.0 112.3 173.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -89.55 39.49 0.95 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.924 0.89 . . . . 0.0 111.417 -173.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.0 m -63.09 -60.27 3.66 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 122.837 0.455 . . . . 0.0 110.389 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.55 89.89 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.794 0.838 . . . . 0.0 111.605 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -62.2 -58.98 5.76 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.752 0.821 . . . . 0.0 110.528 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.0 t -58.6 -42.04 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.277 0.631 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.28 -49.87 73.01 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.316 0.647 . . . . 0.0 109.798 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.85 -57.12 20.46 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.039 0.828 . . . . 0.0 111.64 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.57 -49.09 68.47 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.306 1.042 . . . . 0.0 111.23 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.36 97.18 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.937 0.895 . . . . 0.0 111.443 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.24 -39.83 93.24 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.609 0.364 . . . . 0.0 110.931 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -61.75 -45.66 92.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.142 0.428 . . . . 0.0 110.323 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.5 -43.04 95.36 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.654 0.382 . . . . 0.0 110.799 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -59.53 -49.85 76.2 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.494 1.117 . . . . 0.0 110.74 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.39 -49.44 76.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.632 1.173 . . . . 0.0 111.139 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.0 p -61.26 -31.31 71.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.0 0.52 . . . . 0.0 111.98 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 CA--C 1.536 0.44 0 C-N-CA 123.614 0.766 . . . . 0.0 112.243 177.681 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.64 -49.67 67.39 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.62 0.768 . . . . 0.0 111.248 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.45 -53.34 59.22 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.978 0.911 . . . . 0.0 111.119 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.75 -43.75 98.23 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 119.087 -0.482 . . . . 0.0 111.706 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.1 t -54.77 -40.2 50.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 118.561 0.619 . . . . 0.0 111.061 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.73 -53.85 29.06 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.113 0.415 . . . . 0.0 110.234 172.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -83.36 64.72 7.96 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.631 1.172 . . . . 0.0 110.81 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.7 mtt -139.19 89.77 12.21 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 125.094 1.358 . . . . 0.0 108.834 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.33 -28.31 42.74 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.924 3.749 . . . . 0.0 115.948 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -88.59 -20.62 24.76 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 118.771 0.714 . . . . 0.0 111.36 -169.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.24 171.72 10.57 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 170.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -119.37 175.96 5.57 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.53 1.132 . . . . 0.0 109.29 170.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.52 -55.94 21.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.341 1.056 . . . . 0.0 111.466 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.14 -47.06 75.61 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.695 0.798 . . . . 0.0 111.426 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.21 -55.71 19.74 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.877 0.871 . . . . 0.0 111.475 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -62.82 -40.93 98.92 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 117.848 0.295 . . . . 0.0 111.138 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.1 -43.08 99.43 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.365 0.666 . . . . 0.0 110.339 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.99 -49.44 58.92 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -64.12 -39.92 95.07 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.903 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -58.82 -45.0 91.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.297 0.953 . . . . 0.0 110.37 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -64.04 -40.65 96.76 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 119.251 -0.404 . . . . 0.0 111.057 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -58.62 -41.68 86.45 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.462 0.574 . . . . 0.0 110.624 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -46.43 90.23 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.828 1.251 . . . . 0.0 110.058 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.23 -42.56 95.49 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.418 1.087 . . . . 0.0 110.735 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.45 -39.73 92.39 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.909 0.884 . . . . 0.0 111.173 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -131.58 77.61 72.81 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 123.917 0.887 . . . . 0.0 110.728 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.45 -41.43 76.95 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 124.427 3.418 . . . . 0.0 113.325 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.2 p -62.06 -35.74 79.54 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.739 0.816 . . . . 0.0 112.043 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -89.8 39.22 0.95 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.619 0.768 . . . . 0.0 110.897 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -61.8 -44.65 96.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.335 1.054 . . . . 0.0 110.595 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.0 82.3 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.443 1.097 . . . . 0.0 111.775 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -64.71 -51.88 60.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.937 0.495 . . . . 0.0 110.359 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.09 -45.09 76.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.92 0.888 . . . . 0.0 110.538 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.61 -45.66 91.29 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.626 0.77 . . . . 0.0 110.165 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.83 -50.93 52.41 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.818 0.723 . . . . 0.0 111.845 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.94 -44.61 94.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.159 0.583 . . . . 0.0 110.958 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.77 99.59 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.61 0.764 . . . . 0.0 111.91 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.11 -50.31 73.92 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.267 1.027 . . . . 0.0 110.115 174.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.05 -48.24 82.32 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.111 0.564 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.36 -47.34 76.75 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.391 0.276 . . . . 0.0 110.714 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -57.82 -47.61 82.13 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.297 1.039 . . . . 0.0 111.034 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.98 -50.77 69.45 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.292 1.037 . . . . 0.0 111.135 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.7 p -60.05 -34.37 73.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.993 0.517 . . . . 0.0 111.705 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 123.7 0.8 . . . . 0.0 112.353 178.446 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 119.711 -0.185 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -56.99 -50.45 72.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.367 0.667 . . . . 0.0 111.297 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -60.95 -44.62 97.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.272 0.629 . . . . 0.0 111.259 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -61.24 -47.22 87.04 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.95 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.0 -39.86 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.664 0.786 . . . . 0.0 111.241 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.04 -50.98 71.6 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.555 0.616 . . . . 0.0 110.125 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -81.6 68.81 8.09 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.856 0.862 . . . . 0.0 110.602 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.5 mmt -122.94 93.51 48.28 Favored Pre-proline 0 CA--C 1.533 0.317 0 C-N-CA 125.411 1.484 . . . . 0.0 108.431 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.71 -38.08 55.4 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 124.604 3.536 . . . . 0.0 114.997 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -89.38 -30.37 18.43 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.714 -170.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.91 145.45 55.9 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.31 0.505 . . . . 0.0 111.038 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -89.27 170.73 10.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.9 -52.83 56.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.897 0.879 . . . . 0.0 111.656 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -53.58 -48.08 69.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.681 0.792 . . . . 0.0 111.351 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -61.43 -57.93 10.25 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.847 0.859 . . . . 0.0 111.646 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -64.5 -40.81 96.35 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -62.37 -39.35 92.88 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.22 0.463 . . . . 0.0 110.559 173.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.2 -51.98 43.3 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 173.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -63.88 -39.55 94.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.725 -0.655 . . . . 0.0 111.964 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.41 -49.18 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 119.242 0.928 . . . . 0.0 110.242 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -64.13 -37.67 88.28 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.936 0.495 . . . . 0.0 111.346 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -60.76 -44.03 97.24 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.746 0.419 . . . . 0.0 110.609 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -48.33 79.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.323 1.049 . . . . 0.0 109.918 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.46 -45.4 84.82 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.855 1.262 . . . . 0.0 110.666 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.58 -45.12 80.31 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.052 0.941 . . . . 0.0 111.138 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -118.58 77.01 13.8 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 125.111 1.364 . . . . 0.0 109.704 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.45 -29.84 62.24 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.004 2.469 . . . . 0.0 111.617 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.6 p -59.64 -34.59 73.0 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.084 0.954 . . . . 0.0 111.615 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -89.72 41.39 1.04 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.019 0.927 . . . . 0.0 110.746 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.6 t -63.97 -56.54 14.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.114 0.566 . . . . 0.0 110.52 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.68 94.04 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.119 0.968 . . . . 0.0 111.544 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.09 -53.53 54.11 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.737 0.815 . . . . 0.0 110.75 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -58.45 -45.36 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 123.785 0.834 . . . . 0.0 110.452 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.16 -46.32 75.75 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.158 0.583 . . . . 0.0 110.718 174.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -62.32 6.46 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.152 0.882 . . . . 0.0 111.611 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.68 -34.23 74.02 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 117.331 0.566 . . . . 0.0 112.199 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.43 83.97 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 122.725 0.41 . . . . 0.0 110.847 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -64.69 -37.16 86.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.574 0.35 . . . . 0.0 111.179 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.7 -49.1 77.82 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.359 0.527 . . . . 0.0 110.531 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.36 -39.2 93.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.84 0.291 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -58.8 -62.28 1.99 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.111 0.964 . . . . 0.0 109.934 174.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.36 -50.08 65.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.417 1.487 . . . . 0.0 112.103 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.0 p -58.56 -32.9 69.34 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.762 0.825 . . . . 0.0 112.241 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 177.895 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 111.228 0.085 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -57.31 -50.85 71.63 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.507 0.723 . . . . 0.0 111.22 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -60.11 -48.13 82.99 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.414 0.685 . . . . 0.0 110.706 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -54.01 -51.13 64.95 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.574 0.749 . . . . 0.0 111.12 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.7 t -57.45 -43.76 83.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.288 0.494 . . . . 0.0 111.104 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.85 -41.1 99.22 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.164 0.438 . . . . 0.0 111.926 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -77.87 -37.13 48.86 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.462 0.705 . . . . 0.0 112.82 -174.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.4 mtm -57.12 117.74 19.83 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 123.58 0.752 . . . . 0.0 111.279 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -75.92 -30.33 6.01 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.704 2.936 . . . . 0.0 113.909 -168.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -89.36 37.77 0.87 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.862 0.756 . . . . 0.0 110.646 -171.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.4 mt -122.86 141.17 52.17 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.884 1.674 . . . . 0.0 106.67 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -89.57 176.27 6.95 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 170.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.33 -55.35 32.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.395 0.678 . . . . 0.0 111.251 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -54.97 -43.2 73.29 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.398 0.679 . . . . 0.0 111.552 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -62.01 -61.27 2.6 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.156 0.582 . . . . 0.0 111.029 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -61.68 -44.23 97.34 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.989 0.358 . . . . 0.0 111.708 -173.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -62.85 -44.01 97.28 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 122.531 0.332 . . . . 0.0 110.436 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.68 -51.16 45.93 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -59.23 -46.7 87.77 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.676 0.791 . . . . 0.0 111.337 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -56.72 -45.59 82.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.026 0.53 . . . . 0.0 110.627 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -48.39 82.03 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.928 0.891 . . . . 0.0 111.211 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 m -55.07 -46.51 75.42 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.159 0.584 . . . . 0.0 111.3 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -51.74 63.73 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.628 0.771 . . . . 0.0 110.039 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.52 -43.39 75.68 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.292 1.437 . . . . 0.0 111.02 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.05 -45.94 91.19 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.582 1.153 . . . . 0.0 111.224 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -133.27 87.99 36.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 123.603 0.761 . . . . 0.0 109.593 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.96 -31.92 21.7 Favored 'Trans proline' 0 C--N 1.348 0.504 1 C-N-CA 125.434 4.089 . . . . 0.0 115.435 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.9 p -56.08 -24.67 41.45 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.911 0.884 . . . . 0.0 112.782 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -89.1 37.02 0.83 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.097 0.959 . . . . 0.0 110.984 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.8 m -64.3 -60.18 3.49 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.222 0.609 . . . . 0.0 109.817 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.61 87.83 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.162 0.985 . . . . 0.0 111.475 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -61.61 -57.78 10.68 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.559 0.743 . . . . 0.0 110.622 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.71 -43.42 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 123.209 0.604 . . . . 0.0 110.546 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -55.28 -49.58 71.75 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.99 0.516 . . . . 0.0 110.343 175.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.86 -55.43 29.08 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.994 0.806 . . . . 0.0 111.621 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -54.1 -54.59 37.36 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.305 1.042 . . . . 0.0 110.879 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.41 87.7 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.264 1.025 . . . . 0.0 111.929 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.25 -43.88 73.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.277 0.631 . . . . 0.0 111.076 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -60.51 -44.0 96.49 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.914 0.486 . . . . 0.0 110.124 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 tp -61.83 -51.53 67.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.504 0.322 . . . . 0.0 110.456 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.62 -49.85 69.51 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.33 1.052 . . . . 0.0 110.85 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.29 -49.55 77.17 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.518 1.127 . . . . 0.0 111.212 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.9 p -64.14 -35.92 82.37 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.037 0.535 . . . . 0.0 111.823 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 . . . . . 0 CA--C 1.534 0.36 0 C-N-CA 123.479 0.711 . . . . 0.0 109.975 -179.092 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 119.973 -0.06 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -54.98 -51.07 67.35 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.578 0.751 . . . . 0.0 111.485 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -58.66 -52.84 63.99 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 122.803 0.441 . . . . 0.0 111.206 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -60.93 -43.26 98.9 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.593 -175.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t -52.33 -41.87 36.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 118.389 0.541 . . . . 0.0 110.832 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -69.31 -43.34 73.96 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.021 0.373 . . . . 0.0 111.576 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -61.49 -43.86 98.11 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.118 0.967 . . . . 0.0 112.901 -174.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.3 mtt -45.69 110.62 1.18 Allowed Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 125.823 1.649 . . . . 0.0 112.171 -174.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -46.98 -42.39 25.51 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 125.058 3.839 . . . . 0.0 115.892 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -89.08 -2.35 58.51 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -170.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 mt -90.51 114.57 26.79 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -88.77 -176.19 5.15 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.96 -55.89 10.51 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.734 0.814 . . . . 0.0 111.647 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -50.63 -51.46 48.61 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.604 0.762 . . . . 0.0 111.492 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -64.45 -63.28 1.17 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.264 0.626 . . . . 0.0 111.325 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.52 -43.35 97.21 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.262 0.625 . . . . 0.0 112.139 -172.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -64.54 -36.45 84.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.234 0.47 . . . . 0.0 110.741 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.89 -52.67 51.53 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 174.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -59.79 -43.54 94.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.475 0.71 . . . . 0.0 111.091 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.1 mt -57.63 -41.8 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 123.807 0.843 . . . . 0.0 110.603 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -50.28 74.45 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.6 0.76 . . . . 0.0 109.986 176.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.2 m -56.07 -45.36 79.33 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.832 0.453 . . . . 0.0 111.011 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.43 -42.35 96.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.013 0.925 . . . . 0.0 110.92 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -61.24 -46.1 91.82 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.938 0.895 . . . . 0.0 110.088 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.48 -37.45 87.6 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.746 0.819 . . . . 0.0 111.201 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.81 82.35 67.03 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 123.917 0.887 . . . . 0.0 110.393 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.95 -37.07 66.55 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 124.329 3.353 . . . . 0.0 112.935 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 p -53.57 -33.32 54.35 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.064 1.345 . . . . 0.0 112.569 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -89.35 42.66 1.1 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.999 0.919 . . . . 0.0 110.973 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -64.66 -58.6 5.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.105 0.562 . . . . 0.0 109.988 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.07 86.24 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.311 1.044 . . . . 0.0 111.637 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -63.83 -54.25 37.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.497 0.719 . . . . 0.0 110.645 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.5 t -57.88 -46.95 87.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.264 0 C-N-CA 123.193 0.597 . . . . 0.0 110.3 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp -52.76 -47.69 67.31 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.843 0.857 . . . . 0.0 110.608 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.65 -60.75 8.43 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.454 1.026 . . . . 0.0 112.104 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.08 -36.49 84.2 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.477 0.638 . . . . 0.0 112.109 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.81 76.92 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.216 0.607 . . . . 0.0 110.354 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -64.18 -38.04 89.62 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 122.756 0.423 . . . . 0.0 110.736 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -44.06 97.74 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.081 0.4 . . . . 0.0 110.461 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.18 -47.63 79.06 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.864 0.465 . . . . 0.0 110.575 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -56.49 -48.18 77.69 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.138 0.575 . . . . 0.0 110.572 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.08 -46.99 88.41 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.244 1.418 . . . . 0.0 111.58 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.4 p -66.22 -20.58 66.17 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.968 0.507 . . . . 0.0 112.2 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 123.928 0.891 . . . . 0.0 110.184 173.711 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 119.651 -0.214 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -57.01 -51.21 70.17 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.035 0.934 . . . . 0.0 111.528 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.04 -49.41 75.89 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.261 1.824 . . . . 0.0 111.085 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -67.99 -44.34 76.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.647 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 t -52.62 -45.76 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.595 0.758 . . . . 0.0 110.627 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.8 mt -63.01 -51.34 67.18 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.465 0.306 . . . . 0.0 110.638 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -82.75 63.64 6.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.024 0.929 . . . . 0.0 111.139 -173.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.8 mtt -138.08 119.7 10.59 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.676 1.59 . . . . 0.0 107.41 175.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.1 -32.75 10.41 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 123.356 2.704 . . . . 0.0 113.515 -169.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -89.2 -15.85 32.72 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.198 0.454 . . . . 0.0 111.859 -170.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.8 127.88 34.23 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.482 0.583 . . . . 0.0 109.858 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -89.18 168.11 12.56 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 171.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.45 -56.24 5.25 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.964 1.306 . . . . 0.0 112.745 -172.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.78 -45.32 67.1 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.767 0.827 . . . . 0.0 111.855 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -66.41 -57.78 6.69 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.516 0.726 . . . . 0.0 111.126 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -61.61 -41.26 97.2 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.555 -0.259 . . . . 0.0 111.605 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.04 -45.48 92.7 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.323 0.649 . . . . 0.0 110.16 173.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.96 -51.15 41.68 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -62.51 -36.38 82.36 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 118.942 -0.552 . . . . 0.0 112.006 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.9 -43.33 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 119.157 0.889 . . . . 0.0 110.354 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -61.7 -43.39 98.95 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.664 0.665 . . . . 0.0 110.738 175.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -59.01 -44.61 91.73 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.1 0.56 . . . . 0.0 111.316 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.54 -57.83 11.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.518 1.127 . . . . 0.0 109.241 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -53.1 -45.54 68.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.144 1.378 . . . . 0.0 111.986 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.02 -46.49 71.09 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.935 0.894 . . . . 0.0 111.201 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -118.83 78.65 16.13 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 125.005 1.322 . . . . 0.0 109.416 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.08 -32.69 63.78 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.144 2.563 . . . . 0.0 111.576 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.8 p -56.34 -39.88 73.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.24 1.016 . . . . 0.0 111.302 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -89.97 30.61 1.05 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.305 1.042 . . . . 0.0 111.605 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.3 p -62.58 -51.35 67.68 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.846 0.748 . . . . 0.0 110.945 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.75 91.67 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.053 0.941 . . . . 0.0 111.463 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.0 -51.3 70.67 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.271 0.628 . . . . 0.0 110.45 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.3 t -57.63 -40.19 73.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 124.249 1.02 . . . . 0.0 111.057 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.86 -51.37 69.32 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 173.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.32 -51.19 52.78 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.252 0.929 . . . . 0.0 112.417 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -58.64 -46.85 86.23 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.259 1.024 . . . . 0.0 111.023 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.96 95.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.773 0.829 . . . . 0.0 111.241 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -63.81 -41.7 97.82 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.697 0.799 . . . . 0.0 110.742 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -61.57 -48.37 81.26 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.64 0.776 . . . . 0.0 110.391 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 tp -63.74 -43.69 95.75 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.74 0.416 . . . . 0.0 110.479 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -57.0 -51.04 70.84 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.647 0.779 . . . . 0.0 110.585 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.87 -47.52 85.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.57 1.148 . . . . 0.0 111.212 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.7 p -59.96 -33.43 71.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.837 0.455 . . . . 0.0 111.611 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 . . . . . 0 CA--C 1.536 0.422 0 C-N-CA 124.146 0.978 . . . . 0.0 112.353 178.784 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -62.68 -48.15 80.56 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.343 0.52 . . . . 0.0 110.301 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -54.08 -51.47 64.04 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.073 0.549 . . . . 0.0 110.352 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -57.78 -57.51 12.43 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.519 0.728 . . . . 0.0 110.563 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -52.2 -44.14 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 125.025 1.33 . . . . 0.0 111.811 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.56 -50.38 74.01 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.178 0.444 . . . . 0.0 110.401 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -84.35 65.55 8.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.851 0.86 . . . . 0.0 110.781 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.5 mmt -121.82 84.95 44.38 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 124.938 1.295 . . . . 0.0 107.834 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.22 -19.77 33.5 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.233 2.622 . . . . 0.0 113.439 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -89.13 -28.88 19.76 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.393 0.542 . . . . 0.0 110.384 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.7 mt -71.2 169.42 15.16 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 122.747 0.419 . . . . 0.0 110.159 170.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -110.95 -167.86 1.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.69 0.796 . . . . 0.0 109.244 169.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.56 -57.92 10.7 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.999 0.919 . . . . 0.0 112.26 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.99 -42.94 86.18 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.157 0.889 . . . . 0.0 112.024 -170.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -61.41 -60.62 3.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.014 0.926 . . . . 0.0 110.729 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -59.83 -44.81 93.86 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -63.02 -34.52 77.73 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 122.805 0.442 . . . . 0.0 111.29 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.6 -47.41 57.75 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 170.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -68.54 -32.74 72.89 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.366 -0.826 . . . . 0.0 112.584 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.1 mt -60.07 -49.43 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 119.792 1.178 . . . . 0.0 109.55 173.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -60.85 -40.26 92.21 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.741 0.416 . . . . 0.0 110.895 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 t -61.34 -41.03 96.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.758 0.423 . . . . 0.0 111.205 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.28 -55.03 36.53 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.168 0.987 . . . . 0.0 109.192 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -53.12 -46.3 68.71 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.641 1.176 . . . . 0.0 110.855 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.42 -45.48 76.0 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.833 0.853 . . . . 0.0 111.54 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -123.55 76.2 54.67 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 124.76 1.224 . . . . 0.0 110.381 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -66.54 -28.43 45.4 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.219 2.613 . . . . 0.0 111.429 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -58.1 -39.45 78.66 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.867 0.867 . . . . 0.0 111.057 170.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -94.43 22.5 6.04 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.062 0.945 . . . . 0.0 112.34 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -53.11 -39.95 63.81 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.137 0.88 . . . . 0.0 112.236 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.73 86.16 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.433 0.693 . . . . 0.0 111.479 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -62.65 -50.11 72.49 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.085 0.554 . . . . 0.0 110.188 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -53.2 -46.49 56.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.427 1.091 . . . . 0.0 111.067 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 tt -56.28 -55.33 34.67 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.681 1.192 . . . . 0.0 109.525 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.27 -51.86 48.08 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.114 0.864 . . . . 0.0 112.369 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -60.05 -47.36 86.19 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.697 1.199 . . . . 0.0 111.074 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.12 82.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.283 0.633 . . . . 0.0 111.054 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -65.55 -38.28 89.13 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.529 0.332 . . . . 0.0 111.328 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.73 -46.04 87.17 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.09 0.556 . . . . 0.0 110.425 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.31 -48.94 77.63 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.115 0.566 . . . . 0.0 109.851 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -54.66 -49.61 70.18 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.906 1.282 . . . . 0.0 111.035 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.46 -50.21 74.48 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.539 1.135 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.9 p -60.75 -35.34 76.16 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.794 0.438 . . . . 0.0 111.59 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 . . . . . 0 CA--C 1.537 0.459 0 C-N-CA 123.968 0.907 . . . . 0.0 112.28 179.051 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.351 0.12 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.18 -52.31 64.84 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.623 1.169 . . . . 0.0 111.421 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -55.8 -47.23 77.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.75 1.22 . . . . 0.0 111.438 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -61.92 -47.81 83.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.874 -0.584 . . . . 0.0 110.822 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -55.37 -41.67 63.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 118.616 0.644 . . . . 0.0 111.162 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.24 -47.71 83.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 117.956 0.344 . . . . 0.0 110.672 173.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -86.23 64.44 8.56 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.133 0.973 . . . . 0.0 110.555 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.4 mtt -134.38 87.49 32.59 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 125.237 1.415 . . . . 0.0 108.302 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -52.56 -27.35 32.31 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 125.002 3.802 . . . . 0.0 115.823 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -88.67 -16.6 31.95 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.557 0.617 . . . . 0.0 111.288 -171.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.9 mt -75.22 171.9 13.35 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 169.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -119.67 178.52 4.54 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.589 1.156 . . . . 0.0 108.857 170.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.41 -56.42 15.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.231 1.012 . . . . 0.0 111.464 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.63 -47.1 77.17 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.575 0.75 . . . . 0.0 111.433 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -63.51 -56.58 14.93 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.14 0.576 . . . . 0.0 111.338 -178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -61.72 -40.89 96.67 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 119.361 -0.352 . . . . 0.0 111.11 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -58.49 -44.23 89.33 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.444 0.698 . . . . 0.0 110.51 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.1 -50.97 43.45 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -64.7 -39.91 94.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.984 -0.532 . . . . 0.0 111.885 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.66 -45.11 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 119.116 0.871 . . . . 0.0 110.371 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -45.27 94.2 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.922 0.889 . . . . 0.0 110.854 176.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 t -58.41 -45.86 87.56 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.908 0.483 . . . . 0.0 111.346 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tt -58.55 -56.41 22.54 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.742 1.217 . . . . 0.0 109.497 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -53.26 -46.01 69.05 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.679 1.592 . . . . 0.0 111.089 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.29 -46.77 85.24 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.624 1.169 . . . . 0.0 111.399 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -135.01 81.28 45.89 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 123.493 0.717 . . . . 0.0 110.654 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -56.91 -31.35 89.06 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 124.459 3.439 . . . . 0.0 114.086 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -53.79 -44.27 69.98 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.754 0.822 . . . . 0.0 111.619 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -97.47 31.32 2.57 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.634 0.773 . . . . 0.0 111.573 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -57.63 -35.41 70.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.02 0.528 . . . . 0.0 111.365 172.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.93 -44.9 96.56 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.003 0.921 . . . . 0.0 111.313 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.18 -48.65 75.11 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 122.595 0.358 . . . . 0.0 110.07 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -53.98 -47.09 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.949 0.9 . . . . 0.0 110.711 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.75 -47.17 83.24 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.903 0.881 . . . . 0.0 110.467 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.12 -54.04 36.51 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.999 0.809 . . . . 0.0 111.819 177.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -60.07 -44.82 94.46 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.086 0.954 . . . . 0.0 111.103 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.48 86.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.284 0.634 . . . . 0.0 111.254 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -65.74 -40.84 92.55 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.159 0.584 . . . . 0.0 110.765 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -59.38 -46.19 89.36 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.045 0.538 . . . . 0.0 110.119 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 tp -66.97 -44.51 80.3 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.918 0.487 . . . . 0.0 110.706 -178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -54.34 -50.24 67.88 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.602 1.161 . . . . 0.0 110.403 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.21 -49.46 77.54 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.298 1.039 . . . . 0.0 111.114 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.8 p -61.6 -34.79 76.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.7 0.4 . . . . 0.0 111.811 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 123.929 0.892 . . . . 0.0 112.028 179.05 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 119.898 -0.096 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -56.21 -54.26 47.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.695 0.798 . . . . 0.0 110.993 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -60.17 -42.51 95.14 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.876 0.87 . . . . 0.0 111.698 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -63.73 -41.61 98.02 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.128 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.85 -39.06 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 118.644 0.656 . . . . 0.0 110.946 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.83 -45.02 95.65 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.888 0.767 . . . . 0.0 110.255 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -79.91 63.9 4.59 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.148 0.979 . . . . 0.0 110.515 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.5 mmt -125.16 88.61 53.89 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 125.136 1.374 . . . . 0.0 107.49 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.55 -22.44 33.06 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.359 2.706 . . . . 0.0 113.78 -169.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -88.94 -29.44 19.56 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.57 0.623 . . . . 0.0 110.545 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.6 mt -66.58 153.66 42.46 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 117.847 0.294 . . . . 0.0 110.574 175.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -89.88 179.96 5.86 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 169.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -57.64 12.17 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.412 0.685 . . . . 0.0 111.098 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.18 -47.41 62.2 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.864 0.865 . . . . 0.0 111.793 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.12 -59.83 4.79 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.08 0.952 . . . . 0.0 111.578 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -63.04 -46.05 89.37 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.96 0.345 . . . . 0.0 111.109 -174.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -62.46 -35.8 80.46 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.506 0.722 . . . . 0.0 110.971 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.9 59.63 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 172.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -66.18 -36.43 83.07 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 118.444 -0.789 . . . . 0.0 112.012 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -58.28 -46.47 88.91 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 119.744 1.156 . . . . 0.0 110.574 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -61.74 -45.19 95.01 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.041 0.382 . . . . 0.0 110.657 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -57.15 -41.21 78.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.979 0.512 . . . . 0.0 111.399 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.32 -50.85 64.06 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.76 1.224 . . . . 0.0 109.684 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -53.78 -45.87 70.82 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.542 1.137 . . . . 0.0 110.844 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.82 -45.25 75.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.741 0.817 . . . . 0.0 111.109 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -119.14 81.04 20.13 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.907 1.283 . . . . 0.0 109.676 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.08 -15.67 25.75 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.238 2.625 . . . . 0.0 112.41 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -72.72 -47.05 50.31 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.764 0.711 . . . . 0.0 110.495 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -94.1 33.64 1.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.447 0.699 . . . . 0.0 111.889 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -57.21 -34.09 68.18 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.335 0.654 . . . . 0.0 111.935 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.75 99.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.812 0.845 . . . . 0.0 111.169 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.52 -46.81 74.95 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.774 0.43 . . . . 0.0 109.977 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.7 t -57.45 -44.01 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 124.034 0.934 . . . . 0.0 110.811 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.16 -44.44 92.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.36 0.664 . . . . 0.0 110.203 174.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.98 -50.69 57.86 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 123.877 0.751 . . . . 0.0 111.748 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.84 -47.05 86.19 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.961 0.904 . . . . 0.0 110.832 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.35 82.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.493 0.717 . . . . 0.0 111.448 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -59.51 -46.76 87.91 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.296 1.038 . . . . 0.0 110.325 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.68 -49.41 77.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.44 0.696 . . . . 0.0 110.808 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.81 -35.33 80.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.647 0.779 . . . . 0.0 111.05 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -63.48 -53.4 52.62 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.216 1.006 . . . . 0.0 109.683 174.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.14 -48.19 82.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.795 1.238 . . . . 0.0 111.797 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.5 p -60.3 -35.36 75.41 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.615 0.766 . . . . 0.0 111.758 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.806 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 111.348 0.129 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -56.67 -49.05 76.22 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.816 0.847 . . . . 0.0 111.452 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -58.01 -48.85 78.8 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.909 1.284 . . . . 0.0 110.966 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.25 -45.72 92.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.752 0.821 . . . . 0.0 111.23 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.58 -42.64 40.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 118.363 0.529 . . . . 0.0 111.036 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.65 -51.79 52.19 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.086 0.403 . . . . 0.0 110.747 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -82.62 65.46 7.76 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.64 1.176 . . . . 0.0 110.658 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.6 mtt -132.8 99.89 15.03 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 126.214 1.806 . . . . 0.0 106.54 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -45.05 -36.66 11.81 Favored 'Trans proline' 0 C--N 1.348 0.505 1 C-N-CA 125.404 4.069 . . . . 0.0 116.226 -171.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -89.01 -18.5 27.23 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.835 -172.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.7 mt -79.1 122.8 26.68 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.474 0.579 . . . . 0.0 109.588 175.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -89.26 177.24 6.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 172.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.86 -53.36 7.61 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.308 1.443 . . . . 0.0 112.757 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.92 -49.2 63.56 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.549 0.739 . . . . 0.0 111.579 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -68.4 -57.24 6.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.581 0.752 . . . . 0.0 110.467 -174.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -64.84 -41.87 95.37 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.244 0.618 . . . . 0.0 111.806 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -61.33 -41.6 97.29 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.085 0.402 . . . . 0.0 110.237 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.61 -53.32 36.37 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.925 0.774 . . . . 0.0 111.399 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -60.02 -37.99 81.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.157 0.478 . . . . 0.0 111.55 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.48 -37.42 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.712 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.91 -42.04 97.51 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.549 1.068 . . . . 0.0 110.443 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 m -60.29 -41.76 94.05 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.749 0.42 . . . . 0.0 111.134 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.29 -55.43 28.36 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.378 1.071 . . . . 0.0 109.526 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -53.16 -44.62 67.96 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.801 1.24 . . . . 0.0 111.159 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.91 -46.18 90.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.195 0.998 . . . . 0.0 111.387 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -133.86 84.17 44.69 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 123.638 0.775 . . . . 0.0 110.171 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -55.48 -41.53 77.06 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 124.378 3.385 . . . . 0.0 113.471 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -59.02 -29.73 67.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.864 0.466 . . . . 0.0 112.244 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -93.34 20.77 6.71 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.831 0.853 . . . . 0.0 112.492 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.6 m -50.99 -38.54 51.75 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.44 1.018 . . . . 0.0 112.094 171.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.6 85.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.687 0.795 . . . . 0.0 111.478 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.53 -50.65 68.71 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 122.916 0.486 . . . . 0.0 110.204 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.19 -46.92 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.669 1.188 . . . . 0.0 110.788 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.68 -46.66 81.02 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.302 1.041 . . . . 0.0 110.332 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.89 -58.16 13.61 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -58.32 -37.95 76.12 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.683 0.793 . . . . 0.0 111.769 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.05 86.62 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.975 0.51 . . . . 0.0 111.008 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -65.08 -41.55 94.94 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.014 0.37 . . . . 0.0 111.125 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.2 -46.16 86.3 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.707 0.403 . . . . 0.0 110.428 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tp -67.12 -44.53 79.69 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.434 0.294 . . . . 0.0 110.756 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -52.04 -52.99 47.33 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.255 1.022 . . . . 0.0 110.049 174.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.85 -48.71 79.0 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.275 1.03 . . . . 0.0 111.46 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.5 p -63.15 -28.61 70.18 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.919 0.488 . . . . 0.0 112.161 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.517 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.722 -0.103 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -58.68 -52.49 65.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.242 1.017 . . . . 0.0 111.047 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -54.0 -47.18 71.74 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.142 0.977 . . . . 0.0 110.995 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -61.22 -51.95 66.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.146 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.27 -41.07 59.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 118.836 0.744 . . . . 0.0 111.323 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -59.88 -52.74 64.14 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.253 0.479 . . . . 0.0 110.234 172.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -82.04 62.9 6.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.557 1.143 . . . . 0.0 111.061 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 39.0 mtt -133.36 88.28 35.58 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 125.505 1.522 . . . . 0.0 107.902 172.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -51.13 -29.49 28.79 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 125.007 3.804 . . . . 0.0 115.869 -174.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -88.93 -14.44 36.69 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.336 0.517 . . . . 0.0 112.029 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.9 mt -78.87 146.15 33.79 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.461 0.573 . . . . 0.0 109.98 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -89.48 170.07 10.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.35 0.66 . . . . 0.0 109.358 170.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.7 -55.62 21.38 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.409 1.084 . . . . 0.0 111.786 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.04 -49.16 66.86 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.657 0.783 . . . . 0.0 111.327 -176.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.06 -63.03 1.44 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.374 0.67 . . . . 0.0 110.941 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 ptt85 -58.98 -39.05 80.6 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-O 119.215 -0.422 . . . . 0.0 111.919 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -62.81 -41.89 99.49 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.309 0.504 . . . . 0.0 110.63 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.03 -51.9 43.23 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -60.23 -46.75 88.7 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.448 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.4 mt -53.63 -50.75 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 124.339 1.056 . . . . 0.0 111.042 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -57.48 -52.83 63.8 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.587 0.355 . . . . 0.0 110.088 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.3 t -52.92 -40.81 63.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.355 0.662 . . . . 0.0 111.726 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -55.69 31.65 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.224 1.409 . . . . 0.0 110.602 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.25 -33.52 67.56 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.147 0.579 . . . . 0.0 111.582 -175.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -65.21 -45.27 85.42 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.195 0.598 . . . . 0.0 110.449 174.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -121.66 78.41 38.47 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 124.826 1.25 . . . . 0.0 109.663 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.76 -26.76 38.53 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.225 2.617 . . . . 0.0 111.944 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.2 p -64.11 -14.33 54.04 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.35 0.523 . . . . 0.0 112.267 174.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -116.37 32.28 6.22 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.88 1.272 . . . . 0.0 111.072 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.7 m -55.6 -47.97 75.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.199 0.454 . . . . 0.0 110.579 172.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.51 98.74 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.277 1.031 . . . . 0.0 111.96 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -64.97 -52.03 58.47 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.893 0.477 . . . . 0.0 110.328 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.28 -47.71 68.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 124.358 1.063 . . . . 0.0 110.468 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -54.91 -51.83 64.82 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.395 1.078 . . . . 0.0 110.15 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.57 -57.55 15.31 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.133 0.873 . . . . 0.0 111.781 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -55.87 -49.55 73.06 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.977 0.911 . . . . 0.0 111.078 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.6 87.08 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.491 0.716 . . . . 0.0 111.694 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.46 -43.31 73.52 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 123.177 0.591 . . . . 0.0 111.127 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -61.79 -41.31 97.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.385 0.539 . . . . 0.0 110.768 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.47 -50.81 71.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.694 0.798 . . . . 0.0 110.399 176.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -55.35 -47.18 76.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.312 1.045 . . . . 0.0 110.967 176.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.95 -47.56 85.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.736 1.214 . . . . 0.0 111.17 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.6 p -62.39 -29.71 70.68 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.621 0.368 . . . . 0.0 111.877 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 . . . . . 0 CA--C 1.536 0.434 0 C-N-CA 123.691 0.796 . . . . 0.0 112.341 177.233 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 119.919 -0.086 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -52.84 -45.76 67.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.329 1.051 . . . . 0.0 111.327 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.36 -52.91 61.75 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.815 1.246 . . . . 0.0 110.835 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -59.87 -44.48 94.14 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.499 0.59 . . . . 0.0 111.41 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.8 t -52.83 -47.05 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.705 0.802 . . . . 0.0 111.019 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -65.85 -55.22 18.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.828 0.285 . . . . 0.0 110.701 174.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -83.8 68.03 9.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.957 1.303 . . . . 0.0 110.561 -173.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.8 mtm -142.03 142.04 23.56 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 124.663 1.185 . . . . 0.0 108.338 169.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.39 -44.59 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.546 2.831 . . . . 0.0 113.396 -169.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -89.53 -17.78 27.92 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -169.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.0 mt -72.71 106.38 4.68 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -88.72 174.39 8.04 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.99 -58.76 1.35 Allowed 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.763 1.625 . . . . 0.0 113.258 -172.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.04 -46.14 64.95 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.063 0.945 . . . . 0.0 111.816 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -68.64 -57.86 5.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.833 0.853 . . . . 0.0 110.22 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -62.01 -43.1 99.56 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.869 0.467 . . . . 0.0 111.405 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -61.36 -43.6 98.59 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.145 0.578 . . . . 0.0 110.312 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.59 -53.4 32.61 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 174.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -62.92 -37.11 85.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 118.962 -0.542 . . . . 0.0 112.395 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.47 -46.2 95.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.856 0.753 . . . . 0.0 110.139 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -62.07 -42.42 99.18 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.151 0.432 . . . . 0.0 110.966 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 m -58.7 -45.25 89.92 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.938 0.495 . . . . 0.0 111.158 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.47 -52.42 65.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.539 1.136 . . . . 0.0 109.622 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -55.44 -49.11 73.31 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.548 1.139 . . . . 0.0 110.666 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.43 -46.05 84.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.889 0.876 . . . . 0.0 111.336 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -118.81 79.02 16.4 Favored Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 125.042 1.337 . . . . 0.0 109.505 -176.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -63.0 -38.05 49.15 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.913 2.409 . . . . 0.0 111.618 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 p -57.86 -30.61 65.95 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.084 0.954 . . . . 0.0 112.261 175.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -89.72 35.39 0.83 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.798 0.839 . . . . 0.0 111.881 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -58.89 -47.17 85.92 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.737 -0.602 . . . . 0.0 110.911 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.46 97.36 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.287 1.035 . . . . 0.0 111.879 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -66.71 -51.57 54.53 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.942 0.497 . . . . 0.0 109.815 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.21 -44.84 66.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 124.194 0.998 . . . . 0.0 110.624 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 mt -53.61 -49.92 66.77 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.304 0.641 . . . . 0.0 110.645 172.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.8 -58.44 8.46 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 123.953 0.787 . . . . 0.0 111.877 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.45 -39.83 94.64 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.142 0.471 . . . . 0.0 111.753 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.94 -51.37 64.71 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.213 0.605 . . . . 0.0 111.402 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -58.09 -45.63 86.86 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.743 0.817 . . . . 0.0 110.635 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -47.01 87.37 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.215 0.606 . . . . 0.0 111.336 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.84 -41.34 91.88 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.12 0.568 . . . . 0.0 110.286 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -58.44 -48.6 80.19 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.008 0.523 . . . . 0.0 110.357 175.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.1 -49.55 76.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.932 0.893 . . . . 0.0 111.116 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.9 p -62.67 -29.73 70.86 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 CA--C 1.538 0.483 0 C-N-CA 123.611 0.764 . . . . 0.0 111.964 178.005 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -54.73 -52.03 63.77 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.762 1.225 . . . . 0.0 111.203 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -56.5 -46.23 80.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.604 0.761 . . . . 0.0 110.907 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -61.49 -43.67 98.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.826 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.63 -45.09 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 118.753 0.706 . . . . 0.0 110.534 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.26 -38.01 87.65 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 117.947 0.34 . . . . 0.0 111.527 174.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -68.4 -25.33 64.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.238 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.2 mmt -52.49 114.57 5.79 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 119.1 0.864 . . . . 0.0 110.846 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.98 -32.52 5.34 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.708 2.272 . . . . 0.0 113.437 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -89.47 -16.83 29.92 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.5 mt -68.77 157.04 37.21 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.771 0.714 . . . . 0.0 110.661 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -99.77 177.94 4.98 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.407 0.683 . . . . 0.0 109.335 169.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.95 -58.17 9.3 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.764 0.826 . . . . 0.0 111.276 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.52 -45.69 63.0 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.78 0.832 . . . . 0.0 111.841 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.88 -59.48 5.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.934 0.894 . . . . 0.0 111.359 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -61.55 -40.48 94.86 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 117.948 0.34 . . . . 0.0 111.191 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.39 -39.94 92.52 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.585 0.754 . . . . 0.0 110.707 175.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.94 -50.94 61.34 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -63.79 -39.23 93.74 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.451 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.99 -47.87 82.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 118.954 0.797 . . . . 0.0 110.143 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -47.26 80.43 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.53 0.732 . . . . 0.0 110.766 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m -59.4 -40.19 85.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.499 0.72 . . . . 0.0 111.305 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.53 -53.8 46.23 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.604 1.162 . . . . 0.0 109.298 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.08 -44.32 74.75 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.674 1.19 . . . . 0.0 111.202 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.99 -47.08 66.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.196 0.998 . . . . 0.0 111.177 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -122.28 76.2 42.73 Favored Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 125.035 1.334 . . . . 0.0 109.708 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.88 -32.78 44.81 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.007 2.471 . . . . 0.0 111.185 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.1 p -54.8 -36.48 64.98 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.061 0.944 . . . . 0.0 111.568 171.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -96.14 20.12 10.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.023 0.929 . . . . 0.0 112.384 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.5 p -53.85 -36.56 62.71 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.77 0.714 . . . . 0.0 112.439 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.82 88.84 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.918 0.887 . . . . 0.0 111.398 177.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -64.42 -47.3 79.65 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 123.178 0.591 . . . . 0.0 109.972 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -56.21 -48.55 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.201 1.0 . . . . 0.0 110.51 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.25 -43.37 92.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.743 0.817 . . . . 0.0 110.443 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.51 -51.36 55.19 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.936 0.779 . . . . 0.0 111.63 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -66.1 -37.1 84.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.563 0.745 . . . . 0.0 111.666 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.44 -47.81 84.01 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.783 0.433 . . . . 0.0 110.609 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -63.91 -39.77 94.93 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.778 0.831 . . . . 0.0 111.015 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.22 -49.54 75.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.007 0.923 . . . . 0.0 110.493 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 tp -65.8 -40.97 92.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.06 0.544 . . . . 0.0 110.307 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -57.47 -48.89 77.99 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.895 0.878 . . . . 0.0 110.825 174.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.11 -47.39 84.82 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.139 0.976 . . . . 0.0 111.028 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.3 p -59.95 -35.22 74.48 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.832 0.453 . . . . 0.0 111.615 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 124.01 0.924 . . . . 0.0 112.369 179.426 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 119.543 -0.265 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -53.45 -51.57 62.26 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.004 0.922 . . . . 0.0 110.949 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -54.49 -55.13 32.11 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.884 1.274 . . . . 0.0 110.751 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.84 -45.57 86.04 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.383 0.673 . . . . 0.0 112.147 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.11 -45.96 77.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.873 0.869 . . . . 0.0 110.559 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.1 -37.7 88.25 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.572 0.349 . . . . 0.0 111.464 174.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -69.11 -24.56 64.14 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.127 -0.94 . . . . 0.0 113.222 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.0 mmt -52.95 115.91 8.23 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 119.198 0.908 . . . . 0.0 110.831 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.99 -29.95 7.71 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.628 2.218 . . . . 0.0 113.124 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -89.42 -20.68 23.65 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -169.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.92 158.45 32.68 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.652 0.66 . . . . 0.0 110.932 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -101.99 177.12 4.98 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.684 0.794 . . . . 0.0 109.27 169.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.17 -55.8 28.71 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.954 0.902 . . . . 0.0 111.518 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -53.97 -45.71 71.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.621 0.768 . . . . 0.0 111.687 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.33 -58.28 8.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.815 0.846 . . . . 0.0 111.26 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -61.78 -40.85 96.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 117.878 0.308 . . . . 0.0 111.289 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.15 -43.01 96.08 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.52 0.728 . . . . 0.0 110.504 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.45 -50.68 55.88 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -65.63 -37.94 87.98 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 119.023 -0.513 . . . . 0.0 111.877 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mt -58.0 -49.91 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 118.907 0.776 . . . . 0.0 110.106 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -60.0 -44.24 94.66 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.763 177.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 t -57.14 -41.39 79.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.055 0.542 . . . . 0.0 111.32 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.3 -55.0 38.98 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.35 1.06 . . . . 0.0 109.544 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -57.4 -43.5 83.77 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.467 1.107 . . . . 0.0 111.539 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.41 -46.24 64.35 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.948 0.899 . . . . 0.0 111.03 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -127.55 72.28 77.76 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.595 1.158 . . . . 0.0 110.14 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -71.25 -18.46 30.28 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.41 2.74 . . . . 0.0 111.815 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.6 p -49.52 -41.36 40.79 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.72 1.208 . . . . 0.0 111.544 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -114.25 43.63 1.84 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.146 0.978 . . . . 0.0 110.595 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.1 t -54.82 -40.34 69.44 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.296 0.638 . . . . 0.0 111.117 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.63 -43.68 85.0 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.012 0.925 . . . . 0.0 111.534 175.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -63.8 -48.3 77.43 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 122.704 0.402 . . . . 0.0 110.097 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -54.24 -44.32 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.997 0.919 . . . . 0.0 110.831 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.31 -53.85 53.47 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.716 0.806 . . . . 0.0 109.49 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.33 -56.36 19.91 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.54 1.067 . . . . 0.0 112.653 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.45 -32.8 74.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.62 0.768 . . . . 0.0 111.999 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.41 92.3 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.192 0.451 . . . . 0.0 110.403 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -39.87 95.84 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.972 0.509 . . . . 0.0 110.213 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.03 -49.39 77.83 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.977 -0.452 . . . . 0.0 110.512 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.95 -43.66 98.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.784 0.434 . . . . 0.0 110.598 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -53.2 -58.11 8.18 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.845 1.258 . . . . 0.0 110.668 174.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -59.93 -48.34 82.1 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.823 1.249 . . . . 0.0 111.713 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.5 p -65.53 -18.96 65.71 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 . . . . . 0 C--N 1.341 0.216 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.425 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.515 0.197 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.09 -50.81 72.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.411 1.085 . . . . 0.0 110.658 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -58.08 -46.61 85.19 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.66 1.184 . . . . 0.0 111.248 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -57.68 -45.81 85.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.783 -0.627 . . . . 0.0 110.835 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.22 -41.13 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 118.64 0.655 . . . . 0.0 111.215 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 99.0 mt -58.55 -44.09 89.55 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.966 0.803 . . . . 0.0 110.62 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -87.11 69.85 10.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.143 0.977 . . . . 0.0 109.969 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.3 mmt -124.34 92.86 47.51 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 125.087 1.355 . . . . 0.0 109.043 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.38 -34.6 71.81 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 124.854 3.703 . . . . 0.0 115.557 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.57 -36.61 16.24 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.194 0.452 . . . . 0.0 110.223 -170.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.93 166.32 7.58 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.205 0.526 . . . . 0.0 110.77 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -108.04 -176.47 3.07 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.585 1.154 . . . . 0.0 108.961 169.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -56.14 25.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.689 0.796 . . . . 0.0 111.243 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.63 -46.89 70.64 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.306 0.643 . . . . 0.0 111.645 -177.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -61.52 -58.52 7.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.415 0.686 . . . . 0.0 111.577 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -62.29 -40.14 95.28 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -63.64 -35.75 81.55 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.83 0.452 . . . . 0.0 110.82 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.39 -49.36 79.45 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.911 0.767 . . . . 0.0 111.368 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -58.09 -45.53 87.03 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.277 0.631 . . . . 0.0 110.961 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mt -55.1 -44.67 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 123.189 0.596 . . . . 0.0 110.952 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -49.76 73.93 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.794 0.837 . . . . 0.0 110.86 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -54.75 -42.9 72.21 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.225 0.61 . . . . 0.0 110.929 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -46.09 90.03 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.031 0.533 . . . . 0.0 110.593 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.05 -42.47 94.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.89 0.876 . . . . 0.0 111.27 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -56.68 -40.26 75.24 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.246 0.618 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -145.96 97.38 4.53 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -47.41 -34.93 20.29 Favored 'Trans proline' 0 C--N 1.348 0.531 1 C-N-CA 125.566 4.177 . . . . 0.0 115.266 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -64.87 -8.49 15.57 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -88.86 37.38 0.84 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.902 0.774 . . . . 0.0 110.43 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -65.59 -58.37 5.92 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.752 -0.593 . . . . 0.0 109.805 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.15 96.87 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.246 1.018 . . . . 0.0 111.633 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -59.32 -58.87 6.71 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.924 0.89 . . . . 0.0 110.413 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.73 -44.04 80.69 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.643 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.35 -46.91 69.71 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.566 0.621 . . . . 0.0 111.208 174.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.99 -62.56 5.83 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.916 0.769 . . . . 0.0 111.544 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.57 -41.72 96.1 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.057 0.429 . . . . 0.0 111.822 -176.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.56 -51.64 67.74 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.407 0.683 . . . . 0.0 111.25 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -66.06 -40.13 90.67 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.96 0.504 . . . . 0.0 110.978 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -50.86 71.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.879 0.472 . . . . 0.0 110.23 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.92 -51.0 71.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.106 0.562 . . . . 0.0 109.933 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -50.17 -60.39 3.01 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.266 1.027 . . . . 0.0 110.269 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.31 -52.55 61.16 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.781 0.832 . . . . 0.0 111.327 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -64.18 -6.22 6.27 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -173.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 . . . . . 0 CA--C 1.533 0.308 0 CA-C-N 119.025 0.829 . . . . 0.0 109.975 178.147 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.254 0 CA-C-O 119.893 -0.099 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.66 -51.68 66.42 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.7 1.2 . . . . 0.0 110.717 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -58.39 -49.18 78.18 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.64 0.776 . . . . 0.0 110.915 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -56.74 -49.99 73.59 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 119.204 -0.426 . . . . 0.0 111.044 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.5 t -53.51 -44.31 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.583 0.753 . . . . 0.0 111.344 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.27 -52.95 59.92 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.298 0.499 . . . . 0.0 110.949 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -81.13 71.33 8.1 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.059 0.944 . . . . 0.0 110.392 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.4 mtt -135.25 93.46 16.76 Favored Pre-proline 0 CA--C 1.532 0.268 0 C-N-CA 125.44 1.496 . . . . 0.0 109.052 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -51.72 -29.6 34.19 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 124.981 3.788 . . . . 0.0 115.424 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.67 -31.13 18.66 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 118.49 0.586 . . . . 0.0 110.34 -172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 mt -68.5 144.2 54.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.177 0.444 . . . . 0.0 110.556 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -89.56 172.49 8.93 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 169.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.28 -53.62 51.28 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.823 0.849 . . . . 0.0 111.745 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.74 -49.32 68.42 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.574 0.75 . . . . 0.0 111.486 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -58.86 -58.96 6.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.68 0.792 . . . . 0.0 111.52 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -63.92 -46.65 83.84 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.709 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -61.93 -36.31 80.99 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.163 0.438 . . . . 0.0 110.667 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.67 -53.5 32.39 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 171.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -61.78 -37.22 83.51 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.751 -0.642 . . . . 0.0 112.327 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.42 -48.98 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 119.445 1.02 . . . . 0.0 110.338 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -61.29 -39.87 92.03 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.152 0.433 . . . . 0.0 111.162 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -60.29 -39.53 87.25 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.13 0.423 . . . . 0.0 111.396 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.76 -53.63 51.44 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.1 0.96 . . . . 0.0 109.408 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -54.25 -47.37 72.33 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.773 0.829 . . . . 0.0 111.219 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.39 -45.51 79.78 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.772 0.829 . . . . 0.0 111.496 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -120.29 77.88 26.18 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 125.043 1.337 . . . . 0.0 109.571 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.0 -36.44 38.17 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.072 2.514 . . . . 0.0 111.176 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 p -54.82 -42.44 71.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.105 0.962 . . . . 0.0 111.318 172.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -89.98 22.56 3.14 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.769 0.827 . . . . 0.0 112.185 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.3 t -57.12 -37.19 71.62 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.24 0.927 . . . . 0.0 111.37 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.44 92.1 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.83 0.852 . . . . 0.0 111.416 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -63.2 -51.68 65.35 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.43 0.692 . . . . 0.0 109.992 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.11 -47.87 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 125.033 1.333 . . . . 0.0 110.729 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.49 -50.37 73.98 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.167 0.587 . . . . 0.0 110.249 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.85 -52.15 40.75 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 123.835 0.731 . . . . 0.0 111.837 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -56.81 -43.56 81.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.263 1.025 . . . . 0.0 110.845 177.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.96 -44.18 90.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.427 0.691 . . . . 0.0 111.974 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.99 -48.33 80.32 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.062 0.945 . . . . 0.0 110.355 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -61.72 -51.59 67.73 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.516 0.726 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.46 -38.03 88.2 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.095 0.558 . . . . 0.0 110.816 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -58.38 -67.04 0.39 Allowed 'General case' 0 C--N 1.341 0.197 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -49.79 -52.6 30.83 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.171 0.989 . . . . 0.0 111.734 -173.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.1 p -55.67 -24.21 32.83 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -176.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.899 -176.809 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -53.01 -51.24 62.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.989 0.916 . . . . 0.0 111.632 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -58.19 -50.36 73.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.045 0.938 . . . . 0.0 111.061 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.22 -45.5 93.08 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.404 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.2 t -55.65 -45.61 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.919 0.888 . . . . 0.0 110.64 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.65 -56.66 18.57 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 173.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -85.75 56.61 4.04 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.373 1.069 . . . . 0.0 109.956 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.2 tpp -115.68 103.42 53.82 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -45.32 -45.13 15.63 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.768 3.645 . . . . 0.0 116.27 -170.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -97.35 13.48 29.5 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -168.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -106.31 129.12 54.39 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 119.051 0.841 . . . . 0.0 110.461 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -89.7 178.54 6.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.005 0.922 . . . . 0.0 108.855 169.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.78 -49.72 14.74 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 125.519 1.528 . . . . 0.0 113.385 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -54.54 -60.15 3.74 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.086 0.554 . . . . 0.0 111.396 -173.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -62.95 -54.75 33.59 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.955 0.502 . . . . 0.0 111.222 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -61.06 -43.38 98.97 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.35 -41.74 98.88 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.293 0.497 . . . . 0.0 110.503 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.63 -50.26 54.36 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.83 -41.29 95.87 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 118.852 -0.594 . . . . 0.0 111.733 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.5 -45.69 85.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.994 0.816 . . . . 0.0 110.265 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -63.0 -41.87 99.7 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.049 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -58.76 -42.24 88.46 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.52 0.6 . . . . 0.0 111.052 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.22 -50.01 75.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.216 1.406 . . . . 0.0 109.475 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -57.96 -44.47 87.03 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.778 1.231 . . . . 0.0 111.077 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -65.67 -43.19 90.09 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.11 0.964 . . . . 0.0 111.072 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -130.26 80.7 70.13 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 124.047 0.939 . . . . 0.0 110.345 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -50.81 -46.01 32.65 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 124.323 3.349 . . . . 0.0 112.285 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.2 p -50.05 -40.78 46.21 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.055 1.342 . . . . 0.0 112.056 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -89.8 18.58 5.46 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.876 0.87 . . . . 0.0 112.694 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 p -49.62 -41.21 41.77 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.97 0.908 . . . . 0.0 112.369 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.75 83.67 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.967 0.907 . . . . 0.0 111.82 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -64.08 -48.25 76.9 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.831 0.452 . . . . 0.0 110.155 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -55.33 -45.02 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 124.506 1.122 . . . . 0.0 110.651 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.38 -49.4 77.95 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.373 0.669 . . . . 0.0 110.078 174.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.58 -48.74 55.0 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 123.747 0.689 . . . . 0.0 112.136 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -60.92 -46.36 91.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.487 1.115 . . . . 0.0 110.797 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.76 95.0 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.317 0.647 . . . . 0.0 111.71 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -68.28 -38.58 81.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.208 0.603 . . . . 0.0 110.875 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -63.46 -46.6 85.46 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.694 0.797 . . . . 0.0 110.318 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -54.18 47.26 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.518 1.127 . . . . 0.0 108.691 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -53.79 -48.11 70.14 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.779 0.832 . . . . 0.0 111.657 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.83 -45.6 93.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.31 1.044 . . . . 0.0 111.202 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -62.7 -37.49 86.67 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.587 -0.244 . . . . 0.0 110.866 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 123.681 0.792 . . . . 0.0 111.46 175.317 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 73.31 -60.58 0.53 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.536 1.934 . . . . 0.0 111.615 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -149.25 -166.62 2.6 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.242 1.417 . . . . 0.0 108.609 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -73.92 78.27 1.65 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 171.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -90.05 30.9 1.02 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.863 1.265 . . . . 0.0 111.08 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.53 89.86 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.765 0.826 . . . . 0.0 110.999 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.93 -50.01 75.65 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.335 1.054 . . . . 0.0 110.312 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -59.51 -54.69 43.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.587 1.155 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -60.01 -45.89 91.29 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.641 0.776 . . . . 0.0 110.78 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -48.92 79.1 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.113 0.565 . . . . 0.0 110.737 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -56.44 -49.43 74.59 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.015 0.926 . . . . 0.0 111.477 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -60.03 -46.2 90.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.537 0.735 . . . . 0.0 111.124 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.74 -50.09 74.86 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.844 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.05 -42.2 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.807 0.843 . . . . 0.0 111.153 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.2 mt -57.87 -52.96 63.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.285 0.493 . . . . 0.0 110.044 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -82.29 62.72 6.13 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.819 0.848 . . . . 0.0 110.785 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.8 mmt -114.76 92.7 30.71 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 169.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.1 -20.04 25.58 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.283 2.656 . . . . 0.0 113.342 -169.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -89.06 -29.27 19.55 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.317 0.508 . . . . 0.0 110.186 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.13 147.21 48.63 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -89.45 163.55 15.21 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 169.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.33 -55.55 8.58 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.673 1.189 . . . . 0.0 112.751 -171.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -50.23 -42.86 52.5 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.761 0.824 . . . . 0.0 112.837 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -68.18 -56.18 9.66 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 122.651 0.38 . . . . 0.0 110.858 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -60.69 -39.28 87.9 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -60.58 -43.81 96.91 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.5 0.72 . . . . 0.0 110.29 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.84 -50.97 41.85 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -64.38 -36.3 83.71 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.843 -0.598 . . . . 0.0 112.419 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.43 -49.14 84.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 119.276 0.944 . . . . 0.0 110.025 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -62.59 -36.82 83.95 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.833 0.288 . . . . 0.0 111.242 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -62.46 -40.17 95.77 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.085 0.402 . . . . 0.0 111.08 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.99 -54.89 39.38 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.111 0.965 . . . . 0.0 109.137 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -53.55 -47.31 70.15 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.037 0.935 . . . . 0.0 111.355 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.98 -42.58 84.87 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.901 0.88 . . . . 0.0 111.694 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -122.2 74.39 39.77 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 125.168 1.387 . . . . 0.0 109.42 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.15 -37.52 31.84 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.27 2.646 . . . . 0.0 111.768 -174.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.6 p -60.69 -28.18 68.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.174 0.59 . . . . 0.0 111.872 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -98.17 25.35 6.23 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.056 0.942 . . . . 0.0 112.132 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -55.89 -38.16 69.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.701 0.682 . . . . 0.0 111.979 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.03 88.16 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.664 0.786 . . . . 0.0 111.347 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -63.36 -51.17 67.0 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 123.28 0.632 . . . . 0.0 110.432 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.23 -46.6 68.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.53 1.132 . . . . 0.0 110.703 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.22 -47.24 86.09 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.98 0.912 . . . . 0.0 110.586 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.61 -51.53 54.22 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.777 0.703 . . . . 0.0 111.642 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.77 -47.68 83.86 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.385 1.074 . . . . 0.0 110.837 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.59 -47.29 86.17 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.519 0.728 . . . . 0.0 111.535 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -65.05 -42.36 94.33 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.374 0.67 . . . . 0.0 110.918 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -62.2 -44.53 96.38 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.381 0.672 . . . . 0.0 110.499 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.67 -46.73 81.19 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.65 0.38 . . . . 0.0 110.077 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -55.0 -47.05 75.16 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.22 1.008 . . . . 0.0 110.825 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.64 -50.24 74.32 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.045 0.938 . . . . 0.0 111.049 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.3 p -62.17 -34.46 76.45 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.78 0.432 . . . . 0.0 111.858 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -89.49 13.14 14.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.888 0.875 . . . . 0.0 111.933 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.6 140.47 96.49 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 118.99 0.814 . . . . 0.0 110.496 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.794 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 62.9 Cg_endo -69.49 -39.79 6.57 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.18 2.587 . . . . 0.0 111.376 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.794 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 29.5 tptp . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.121 -1.419 . . . . 0.0 109.336 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -157.06 145.09 19.29 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.559 1.144 . . . . 0.0 108.16 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -62.28 -67.41 0.42 Allowed 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -86.99 74.73 9.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.95 -18.03 65.19 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.562 0.745 . . . . 0.0 112.888 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.82 55.99 2.19 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.279 1.032 . . . . 0.0 111.343 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -81.79 -63.09 1.46 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -44.2 50.04 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.365 1.866 . . . . 0.0 113.08 -174.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -57.72 -62.15 2.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.602 0.761 . . . . 0.0 110.422 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.48 -42.78 83.31 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.563 0.745 . . . . 0.0 110.992 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -53.65 -54.65 34.72 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.364 1.066 . . . . 0.0 111.006 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -61.84 -50.93 70.3 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 122.924 0.49 . . . . 0.0 110.788 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -55.18 -49.07 72.81 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.505 0.722 . . . . 0.0 112.041 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.23 -41.09 91.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 122.954 0.501 . . . . 0.0 111.975 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.92 -41.07 99.34 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.442 0.564 . . . . 0.0 110.243 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -83.32 58.49 4.52 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.475 1.11 . . . . 0.0 110.399 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.6 mmt -118.39 133.81 23.48 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 124.938 1.295 . . . . 0.0 108.495 175.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.69 -43.76 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.046 2.497 . . . . 0.0 112.648 -174.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -89.8 -29.14 18.85 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.966 0.506 . . . . 0.0 112.293 -169.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.8 133.93 53.02 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.462 0.574 . . . . 0.0 110.713 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -89.64 170.07 10.78 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.576 0.751 . . . . 0.0 109.257 169.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.36 -56.47 8.04 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.967 1.307 . . . . 0.0 112.649 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -51.1 -45.28 61.45 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.582 0.753 . . . . 0.0 111.846 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.65 -62.53 1.4 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.809 0.844 . . . . 0.0 110.789 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -61.89 -48.25 81.34 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.04 0.536 . . . . 0.0 111.648 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -63.54 -40.6 97.44 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.119 0.568 . . . . 0.0 110.561 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.21 -50.45 55.83 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.12 -36.05 82.31 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.988 0.394 . . . . 0.0 111.529 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.96 -43.66 92.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 118.55 0.614 . . . . 0.0 110.938 173.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -63.17 -37.47 87.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.591 0.632 . . . . 0.0 110.954 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 t -61.5 -41.52 97.41 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.192 0.451 . . . . 0.0 110.86 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -54.13 50.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.003 0.921 . . . . 0.0 109.777 177.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -56.16 -46.92 79.12 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.589 1.156 . . . . 0.0 110.899 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.15 -49.25 78.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.327 1.051 . . . . 0.0 111.303 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -131.36 91.69 34.32 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.864 0.866 . . . . 0.0 109.619 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -46.19 -38.27 19.51 Favored 'Trans proline' 0 N--CA 1.46 -0.478 1 C-N-CA 125.43 4.086 . . . . 0.0 115.444 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.4 p -56.79 -25.73 56.15 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.505 0.722 . . . . 0.0 112.806 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -89.65 36.59 0.85 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.982 0.913 . . . . 0.0 111.521 -173.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.7 p -69.4 -54.0 16.59 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.695 0.679 . . . . 0.0 110.078 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.31 -41.7 85.1 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.353 1.061 . . . . 0.0 111.023 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -60.79 -53.05 62.07 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.697 0.799 . . . . 0.0 110.544 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 t -54.45 -49.61 64.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 C-N-CA 124.702 1.201 . . . . 0.0 111.016 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.6 -50.26 73.72 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.964 0.906 . . . . 0.0 110.05 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.74 -59.5 10.71 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.548 1.07 . . . . 0.0 112.4 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.2 -37.94 87.24 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 117.439 0.619 . . . . 0.0 111.506 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.89 67.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.247 0.619 . . . . 0.0 110.932 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -62.17 -40.32 95.63 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.915 0.486 . . . . 0.0 110.924 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.82 -49.01 78.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.663 0.785 . . . . 0.0 110.543 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.75 -42.88 97.77 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.212 0.605 . . . . 0.0 110.372 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.06 -52.56 64.8 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.077 0.951 . . . . 0.0 110.205 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.48 -48.42 80.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.538 1.135 . . . . 0.0 111.246 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.1 p -60.55 -34.97 74.91 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.05 0.54 . . . . 0.0 111.433 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -88.89 57.92 4.36 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.08 144.1 99.0 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.16 0.584 . . . . 0.0 110.165 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.806 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 69.4 Cg_endo -70.18 -39.63 5.49 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.141 2.561 . . . . 0.0 111.371 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.806 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 58.9 tptt . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.285 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -66.1 -53.61 35.91 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -82.89 54.92 2.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.021 0.928 . . . . 0.0 109.523 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 t70 51.95 -143.27 0.68 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.269 1.427 . . . . 0.0 111.102 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -88.64 -11.25 45.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.629 1.172 . . . . 0.0 111.909 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.33 -34.72 70.92 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.171 0.441 . . . . 0.0 109.814 169.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -49.89 -58.48 5.33 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.63 1.572 . . . . 0.0 111.314 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -67.25 -48.2 68.45 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.375 1.07 . . . . 0.0 110.419 -176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -55.43 -47.98 75.14 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.714 0.806 . . . . 0.0 111.0 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.69 -50.74 72.17 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.805 0.842 . . . . 0.0 110.884 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -54.19 -49.43 69.36 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.541 0.736 . . . . 0.0 111.268 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -60.87 -47.47 86.22 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.414 0.685 . . . . 0.0 111.32 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -57.93 -50.81 72.07 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.748 0.419 . . . . 0.0 110.835 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.32 -42.19 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 123.223 0.609 . . . . 0.0 111.153 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -40.7 83.62 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.247 0.476 . . . . 0.0 111.356 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -71.03 -68.35 0.44 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.246 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.3 mtt -5.56 85.37 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 C-N-CA 129.069 2.948 . . . . 0.0 114.275 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -52.76 -28.39 38.03 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 124.848 3.699 . . . . 0.0 116.155 -170.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -88.71 -16.77 31.43 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.518 0.599 . . . . 0.0 111.723 -170.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.74 154.85 41.05 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.505 0.593 . . . . 0.0 110.078 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -96.4 177.22 5.77 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 168.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.04 -56.82 16.75 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.504 0.722 . . . . 0.0 111.32 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -52.67 -46.44 67.2 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.756 0.823 . . . . 0.0 111.644 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.47 -59.52 5.26 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.828 0.851 . . . . 0.0 111.173 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -62.54 -41.92 99.2 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 117.998 0.363 . . . . 0.0 111.578 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -62.03 -41.15 97.8 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.034 0.534 . . . . 0.0 110.681 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.09 -50.73 58.02 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -65.06 -36.91 85.84 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.993 -0.527 . . . . 0.0 111.867 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.6 -45.41 97.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 119.11 0.868 . . . . 0.0 110.231 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -62.69 -39.04 92.71 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.097 0.408 . . . . 0.0 111.0 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -61.9 -42.38 99.01 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.844 0.458 . . . . 0.0 111.011 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.53 -54.82 38.1 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.742 1.217 . . . . 0.0 109.255 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.68 -45.37 73.91 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.38 1.472 . . . . 0.0 111.233 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.95 -45.58 67.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.621 0.768 . . . . 0.0 111.263 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -120.4 76.02 25.03 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 109.54 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.36 -36.73 33.95 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.99 2.46 . . . . 0.0 111.36 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.5 p -55.85 -30.03 60.82 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.847 0.859 . . . . 0.0 112.176 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.91 15.61 21.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.256 1.023 . . . . 0.0 111.9 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 t -55.41 -35.43 65.35 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.139 0.881 . . . . 0.0 112.446 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.29 95.78 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.572 0.749 . . . . 0.0 111.258 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.13 -47.01 78.62 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.138 0.575 . . . . 0.0 110.254 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.4 t -55.51 -48.33 77.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 124.594 1.158 . . . . 0.0 110.441 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 tp -55.7 -47.43 76.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.591 0.756 . . . . 0.0 110.329 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.67 -60.33 8.83 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.075 0.845 . . . . 0.0 112.247 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -64.42 -35.38 80.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.282 0.541 . . . . 0.0 112.092 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.16 81.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.839 0.456 . . . . 0.0 110.651 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -63.17 -39.11 93.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.533 0.733 . . . . 0.0 110.618 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -61.12 -46.51 90.28 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.174 0.59 . . . . 0.0 110.413 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.74 -44.12 91.16 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.469 0.308 . . . . 0.0 110.692 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -54.41 -54.46 40.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.894 0.877 . . . . 0.0 110.096 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.34 -48.63 79.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.495 1.118 . . . . 0.0 111.528 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.4 p -60.52 -31.84 70.9 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.61 0.764 . . . . 0.0 111.861 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -88.76 57.36 4.13 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.33 123.28 86.13 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 123.767 0.827 . . . . 0.0 109.619 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.74 -45.02 37.76 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.852 3.035 . . . . 0.0 113.083 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 tptt . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.227 -1.368 . . . . 0.0 109.196 178.824 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -104.71 -71.89 0.72 Allowed 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.918 0.887 . . . . 0.0 110.289 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.3 m170 60.4 -77.41 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.783 1.633 . . . . 0.0 113.369 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -140.16 173.82 11.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.535 1.934 . . . . 0.0 109.179 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.71 -45.03 70.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.034 0.934 . . . . 0.0 113.388 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -53.42 52.3 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.142 0.577 . . . . 0.0 110.986 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -56.54 -46.91 80.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.637 1.175 . . . . 0.0 110.454 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -53.85 -61.03 2.57 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.908 0.883 . . . . 0.0 111.193 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -55.73 -53.95 50.32 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.183 0.593 . . . . 0.0 110.73 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.06 80.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.984 0.514 . . . . 0.0 111.618 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -56.36 -52.06 65.98 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.164 0.986 . . . . 0.0 111.111 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -58.18 -45.83 86.85 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.128 0.571 . . . . 0.0 110.654 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -59.15 -49.05 79.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.263 0.625 . . . . 0.0 111.343 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.05 -40.17 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.296 0.638 . . . . 0.0 111.278 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.67 -41.24 96.22 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.365 0.529 . . . . 0.0 111.214 173.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -67.19 -36.85 82.61 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.57 0.748 . . . . 0.0 112.552 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.9 mtt -50.05 113.21 3.25 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 124.62 1.168 . . . . 0.0 110.979 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.83 -26.15 4.76 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.95 2.433 . . . . 0.0 113.76 -169.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -88.96 -13.25 39.39 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 118.722 0.692 . . . . 0.0 112.561 -169.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.19 147.27 51.55 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.469 0.577 . . . . 0.0 109.772 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -89.92 175.29 7.26 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.56 -54.77 41.98 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.606 0.763 . . . . 0.0 111.37 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.83 -45.7 74.49 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.884 0.874 . . . . 0.0 111.449 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.76 -60.83 3.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.187 0.995 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -60.34 -42.88 96.58 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 119.256 -0.402 . . . . 0.0 110.947 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -59.92 -44.25 94.42 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.537 0.735 . . . . 0.0 110.854 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.18 -52.8 44.72 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -58.68 -51.51 69.62 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.19 0.596 . . . . 0.0 111.246 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.6 mt -50.44 -54.72 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.942 1.297 . . . . 0.0 110.798 178.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -64.02 -44.53 92.29 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.133 0.573 . . . . 0.0 111.346 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -54.31 -45.33 72.57 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.97 0.508 . . . . 0.0 110.58 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -46.27 82.84 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.073 0.949 . . . . 0.0 110.848 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.33 -44.77 80.33 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.067 0.947 . . . . 0.0 110.526 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -65.51 -45.78 82.21 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.732 0.813 . . . . 0.0 110.799 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -120.46 78.12 27.72 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 124.796 1.238 . . . . 0.0 109.763 -174.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -62.89 -25.81 74.37 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.539 2.826 . . . . 0.0 112.61 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -54.07 -31.64 52.31 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.867 0.867 . . . . 0.0 112.3 173.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -89.55 39.49 0.95 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.924 0.89 . . . . 0.0 111.417 -173.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.0 m -63.09 -60.27 3.66 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 122.837 0.455 . . . . 0.0 110.389 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.55 89.89 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.794 0.838 . . . . 0.0 111.605 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -62.2 -58.98 5.76 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.752 0.821 . . . . 0.0 110.528 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.0 t -58.6 -42.04 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.277 0.631 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.28 -49.87 73.01 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.316 0.647 . . . . 0.0 109.798 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.85 -57.12 20.46 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.039 0.828 . . . . 0.0 111.64 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.57 -49.09 68.47 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.306 1.042 . . . . 0.0 111.23 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.36 97.18 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.937 0.895 . . . . 0.0 111.443 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.24 -39.83 93.24 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.609 0.364 . . . . 0.0 110.931 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -61.75 -45.66 92.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.142 0.428 . . . . 0.0 110.323 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.5 -43.04 95.36 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.654 0.382 . . . . 0.0 110.799 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -59.53 -49.85 76.2 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.494 1.117 . . . . 0.0 110.74 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.39 -49.44 76.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.632 1.173 . . . . 0.0 111.139 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.0 p -61.26 -31.31 71.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.0 0.52 . . . . 0.0 111.98 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -89.38 6.9 38.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.614 0.766 . . . . 0.0 112.243 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.87 141.43 92.36 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 119.231 0.923 . . . . 0.0 110.397 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.31 -38.29 12.12 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.14 2.56 . . . . 0.0 111.166 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.085 178.407 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 63.02 -92.57 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.788 1.635 . . . . 0.0 109.651 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.83 66.15 8.95 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.014 1.325 . . . . 0.0 108.454 171.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.2 t70 68.36 160.23 0.17 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.687 1.995 . . . . 0.0 113.133 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.21 -5.94 8.21 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.031 0.932 . . . . 0.0 112.448 172.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.65 -36.36 15.76 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.298 1.039 . . . . 0.0 111.293 169.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -56.42 -66.01 0.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.638 1.175 . . . . 0.0 111.505 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -63.87 -37.47 87.5 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.846 0.458 . . . . 0.0 111.407 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.84 -51.15 70.96 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.433 1.093 . . . . 0.0 110.771 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.8 -53.8 54.1 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.533 0.733 . . . . 0.0 110.277 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.64 -49.67 67.39 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.62 0.768 . . . . 0.0 111.248 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.45 -53.34 59.22 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.978 0.911 . . . . 0.0 111.119 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.75 -43.75 98.23 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 119.087 -0.482 . . . . 0.0 111.706 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.1 t -54.77 -40.2 50.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 118.561 0.619 . . . . 0.0 111.061 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.73 -53.85 29.06 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.113 0.415 . . . . 0.0 110.234 172.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -83.36 64.72 7.96 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.631 1.172 . . . . 0.0 110.81 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.7 mtt -139.19 89.77 12.21 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 125.094 1.358 . . . . 0.0 108.834 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.33 -28.31 42.74 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.924 3.749 . . . . 0.0 115.948 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -88.59 -20.62 24.76 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 118.771 0.714 . . . . 0.0 111.36 -169.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.24 171.72 10.57 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 170.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -119.37 175.96 5.57 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.53 1.132 . . . . 0.0 109.29 170.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.52 -55.94 21.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.341 1.056 . . . . 0.0 111.466 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.14 -47.06 75.61 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.695 0.798 . . . . 0.0 111.426 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.21 -55.71 19.74 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.877 0.871 . . . . 0.0 111.475 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -62.82 -40.93 98.92 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 117.848 0.295 . . . . 0.0 111.138 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.1 -43.08 99.43 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.365 0.666 . . . . 0.0 110.339 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.99 -49.44 58.92 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -64.12 -39.92 95.07 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.903 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -58.82 -45.0 91.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.297 0.953 . . . . 0.0 110.37 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -64.04 -40.65 96.76 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 119.251 -0.404 . . . . 0.0 111.057 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -58.62 -41.68 86.45 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.462 0.574 . . . . 0.0 110.624 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -46.43 90.23 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.828 1.251 . . . . 0.0 110.058 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.23 -42.56 95.49 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.418 1.087 . . . . 0.0 110.735 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.45 -39.73 92.39 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.909 0.884 . . . . 0.0 111.173 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -131.58 77.61 72.81 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 123.917 0.887 . . . . 0.0 110.728 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.45 -41.43 76.95 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 124.427 3.418 . . . . 0.0 113.325 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.2 p -62.06 -35.74 79.54 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.739 0.816 . . . . 0.0 112.043 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -89.8 39.22 0.95 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.619 0.768 . . . . 0.0 110.897 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -61.8 -44.65 96.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.335 1.054 . . . . 0.0 110.595 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.0 82.3 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.443 1.097 . . . . 0.0 111.775 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -64.71 -51.88 60.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.937 0.495 . . . . 0.0 110.359 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.09 -45.09 76.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.92 0.888 . . . . 0.0 110.538 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.61 -45.66 91.29 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.626 0.77 . . . . 0.0 110.165 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.83 -50.93 52.41 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.818 0.723 . . . . 0.0 111.845 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.94 -44.61 94.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.159 0.583 . . . . 0.0 110.958 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.77 99.59 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.61 0.764 . . . . 0.0 111.91 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.11 -50.31 73.92 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.267 1.027 . . . . 0.0 110.115 174.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.05 -48.24 82.32 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.111 0.564 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.36 -47.34 76.75 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.391 0.276 . . . . 0.0 110.714 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -57.82 -47.61 82.13 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.297 1.039 . . . . 0.0 111.034 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.98 -50.77 69.45 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.292 1.037 . . . . 0.0 111.135 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.7 p -60.05 -34.37 73.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.993 0.517 . . . . 0.0 111.705 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -89.57 11.73 18.74 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.7 0.8 . . . . 0.0 112.353 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.65 141.3 92.71 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 119.103 0.865 . . . . 0.0 110.484 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.47 -38.97 10.27 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.162 2.575 . . . . 0.0 111.162 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.2 pttm . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.95 -1.5 . . . . 0.0 110.018 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -79.56 64.35 4.41 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.248 1.019 . . . . 0.0 110.16 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -56.82 -44.03 81.6 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.049 1.34 . . . . 0.0 110.386 174.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -78.45 77.85 4.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 172.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.61 -18.91 61.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.694 0.798 . . . . 0.0 112.416 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -39.14 61.15 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.004 0.922 . . . . 0.0 111.515 171.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -55.19 -56.17 22.96 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 124.201 1.0 . . . . 0.0 110.464 175.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -59.09 -52.66 64.78 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.092 0.957 . . . . 0.0 110.389 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -53.06 -56.55 15.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.008 0.923 . . . . 0.0 110.873 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.21 81.73 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.804 0.842 . . . . 0.0 111.373 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -56.99 -50.45 72.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.367 0.667 . . . . 0.0 111.297 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -60.95 -44.62 97.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.272 0.629 . . . . 0.0 111.259 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -61.24 -47.22 87.04 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.95 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.0 -39.86 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.664 0.786 . . . . 0.0 111.241 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.04 -50.98 71.6 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.555 0.616 . . . . 0.0 110.125 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -81.6 68.81 8.09 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.856 0.862 . . . . 0.0 110.602 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.5 mmt -122.94 93.51 48.28 Favored Pre-proline 0 CA--C 1.533 0.317 0 C-N-CA 125.411 1.484 . . . . 0.0 108.431 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.71 -38.08 55.4 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 124.604 3.536 . . . . 0.0 114.997 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -89.38 -30.37 18.43 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.714 -170.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.91 145.45 55.9 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.31 0.505 . . . . 0.0 111.038 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -89.27 170.73 10.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.9 -52.83 56.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.897 0.879 . . . . 0.0 111.656 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -53.58 -48.08 69.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.681 0.792 . . . . 0.0 111.351 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -61.43 -57.93 10.25 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.847 0.859 . . . . 0.0 111.646 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -64.5 -40.81 96.35 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -62.37 -39.35 92.88 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.22 0.463 . . . . 0.0 110.559 173.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.2 -51.98 43.3 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 173.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -63.88 -39.55 94.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.725 -0.655 . . . . 0.0 111.964 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.41 -49.18 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 119.242 0.928 . . . . 0.0 110.242 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -64.13 -37.67 88.28 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.936 0.495 . . . . 0.0 111.346 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -60.76 -44.03 97.24 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.746 0.419 . . . . 0.0 110.609 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -48.33 79.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.323 1.049 . . . . 0.0 109.918 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.46 -45.4 84.82 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.855 1.262 . . . . 0.0 110.666 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.58 -45.12 80.31 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.052 0.941 . . . . 0.0 111.138 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -118.58 77.01 13.8 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 125.111 1.364 . . . . 0.0 109.704 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.45 -29.84 62.24 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.004 2.469 . . . . 0.0 111.617 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.6 p -59.64 -34.59 73.0 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.084 0.954 . . . . 0.0 111.615 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -89.72 41.39 1.04 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.019 0.927 . . . . 0.0 110.746 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.6 t -63.97 -56.54 14.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.114 0.566 . . . . 0.0 110.52 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.68 94.04 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.119 0.968 . . . . 0.0 111.544 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.09 -53.53 54.11 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.737 0.815 . . . . 0.0 110.75 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -58.45 -45.36 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 123.785 0.834 . . . . 0.0 110.452 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.16 -46.32 75.75 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.158 0.583 . . . . 0.0 110.718 174.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -62.32 6.46 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.152 0.882 . . . . 0.0 111.611 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.68 -34.23 74.02 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 117.331 0.566 . . . . 0.0 112.199 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.43 83.97 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 122.725 0.41 . . . . 0.0 110.847 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -64.69 -37.16 86.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.574 0.35 . . . . 0.0 111.179 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.7 -49.1 77.82 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.359 0.527 . . . . 0.0 110.531 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.36 -39.2 93.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.84 0.291 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -58.8 -62.28 1.99 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.111 0.964 . . . . 0.0 109.934 174.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.36 -50.08 65.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.417 1.487 . . . . 0.0 112.103 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.0 p -58.56 -32.9 69.34 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.762 0.825 . . . . 0.0 112.241 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -88.89 58.19 4.48 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.91 132.59 94.75 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 123.209 0.603 . . . . 0.0 109.681 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -82.01 -159.68 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.773 2.982 . . . . 0.0 109.513 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.18 0 C-N-CA 124.699 1.2 . . . . 0.0 110.937 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -132.36 159.66 38.57 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 125.207 1.403 . . . . 0.0 109.108 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.1 m80 73.75 -65.63 0.34 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.36 1.864 . . . . 0.0 110.6 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 53.22 53.03 12.48 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.478 1.511 . . . . 0.0 111.587 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -90.45 37.53 0.91 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.67 1.188 . . . . 0.0 110.498 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.26 91.02 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.552 1.141 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -54.8 -53.86 49.7 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.674 1.189 . . . . 0.0 110.699 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -56.93 -56.82 16.7 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.772 0.829 . . . . 0.0 110.661 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -54.2 -52.73 60.3 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.901 0.88 . . . . 0.0 111.232 -177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -49.73 75.02 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.027 0.931 . . . . 0.0 111.228 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -57.31 -50.85 71.63 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.507 0.723 . . . . 0.0 111.22 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -60.11 -48.13 82.99 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.414 0.685 . . . . 0.0 110.706 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -54.01 -51.13 64.95 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.574 0.749 . . . . 0.0 111.12 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.7 t -57.45 -43.76 83.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.288 0.494 . . . . 0.0 111.104 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.85 -41.1 99.22 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.164 0.438 . . . . 0.0 111.926 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -77.87 -37.13 48.86 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.462 0.705 . . . . 0.0 112.82 -174.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.4 mtm -57.12 117.74 19.83 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 123.58 0.752 . . . . 0.0 111.279 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -75.92 -30.33 6.01 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.704 2.936 . . . . 0.0 113.909 -168.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -89.36 37.77 0.87 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.862 0.756 . . . . 0.0 110.646 -171.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.4 mt -122.86 141.17 52.17 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.884 1.674 . . . . 0.0 106.67 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -89.57 176.27 6.95 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 170.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.33 -55.35 32.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.395 0.678 . . . . 0.0 111.251 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -54.97 -43.2 73.29 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.398 0.679 . . . . 0.0 111.552 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -62.01 -61.27 2.6 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.156 0.582 . . . . 0.0 111.029 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -61.68 -44.23 97.34 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.989 0.358 . . . . 0.0 111.708 -173.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -62.85 -44.01 97.28 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 122.531 0.332 . . . . 0.0 110.436 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.68 -51.16 45.93 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -59.23 -46.7 87.77 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.676 0.791 . . . . 0.0 111.337 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -56.72 -45.59 82.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.026 0.53 . . . . 0.0 110.627 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -48.39 82.03 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.928 0.891 . . . . 0.0 111.211 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 m -55.07 -46.51 75.42 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.159 0.584 . . . . 0.0 111.3 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -51.74 63.73 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.628 0.771 . . . . 0.0 110.039 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.52 -43.39 75.68 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.292 1.437 . . . . 0.0 111.02 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.05 -45.94 91.19 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.582 1.153 . . . . 0.0 111.224 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -133.27 87.99 36.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 123.603 0.761 . . . . 0.0 109.593 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.96 -31.92 21.7 Favored 'Trans proline' 0 C--N 1.348 0.504 1 C-N-CA 125.434 4.089 . . . . 0.0 115.435 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.9 p -56.08 -24.67 41.45 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.911 0.884 . . . . 0.0 112.782 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -89.1 37.02 0.83 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.097 0.959 . . . . 0.0 110.984 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.8 m -64.3 -60.18 3.49 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.222 0.609 . . . . 0.0 109.817 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.61 87.83 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.162 0.985 . . . . 0.0 111.475 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -61.61 -57.78 10.68 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.559 0.743 . . . . 0.0 110.622 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.71 -43.42 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 123.209 0.604 . . . . 0.0 110.546 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -55.28 -49.58 71.75 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.99 0.516 . . . . 0.0 110.343 175.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.86 -55.43 29.08 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.994 0.806 . . . . 0.0 111.621 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -54.1 -54.59 37.36 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.305 1.042 . . . . 0.0 110.879 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.41 87.7 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.264 1.025 . . . . 0.0 111.929 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.25 -43.88 73.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.277 0.631 . . . . 0.0 111.076 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -60.51 -44.0 96.49 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.914 0.486 . . . . 0.0 110.124 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 tp -61.83 -51.53 67.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.504 0.322 . . . . 0.0 110.456 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.62 -49.85 69.51 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.33 1.052 . . . . 0.0 110.85 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.29 -49.55 77.17 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.518 1.127 . . . . 0.0 111.212 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.9 p -64.14 -35.92 82.37 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.037 0.535 . . . . 0.0 111.823 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -89.01 50.91 2.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.479 0.711 . . . . 0.0 109.975 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.88 78.84 16.48 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 124.762 1.225 . . . . 0.0 109.269 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.93 -61.56 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.808 2.338 . . . . 0.0 111.785 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mptt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 116.617 -1.659 . . . . 0.0 110.359 -177.85 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.514 -0.279 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? 69.98 -70.6 0.14 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.42 1.888 . . . . 0.0 111.988 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -84.63 68.1 10.24 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.808 1.243 . . . . 0.0 109.336 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -147.63 57.29 1.11 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.06 1.344 . . . . 0.0 108.446 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.95 -47.35 80.88 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.535 1.134 . . . . 0.0 112.101 -171.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.43 73.62 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.168 0.587 . . . . 0.0 111.208 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -61.18 -57.29 13.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.539 1.136 . . . . 0.0 111.192 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.47 -44.4 97.16 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 119.517 -0.277 . . . . 0.0 110.815 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.66 -55.83 29.52 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.262 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.01 -49.34 41.46 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.461 0.704 . . . . 0.0 111.043 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -54.98 -51.07 67.35 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.578 0.751 . . . . 0.0 111.485 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -58.66 -52.84 63.99 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 122.803 0.441 . . . . 0.0 111.206 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -60.93 -43.26 98.9 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.593 -175.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t -52.33 -41.87 36.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 118.389 0.541 . . . . 0.0 110.832 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -69.31 -43.34 73.96 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.021 0.373 . . . . 0.0 111.576 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -61.49 -43.86 98.11 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.118 0.967 . . . . 0.0 112.901 -174.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.3 mtt -45.69 110.62 1.18 Allowed Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 125.823 1.649 . . . . 0.0 112.171 -174.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -46.98 -42.39 25.51 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 125.058 3.839 . . . . 0.0 115.892 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -89.08 -2.35 58.51 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -170.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 mt -90.51 114.57 26.79 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -88.77 -176.19 5.15 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.96 -55.89 10.51 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.734 0.814 . . . . 0.0 111.647 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -50.63 -51.46 48.61 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.604 0.762 . . . . 0.0 111.492 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -64.45 -63.28 1.17 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.264 0.626 . . . . 0.0 111.325 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.52 -43.35 97.21 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.262 0.625 . . . . 0.0 112.139 -172.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -64.54 -36.45 84.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.234 0.47 . . . . 0.0 110.741 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.89 -52.67 51.53 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 174.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -59.79 -43.54 94.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.475 0.71 . . . . 0.0 111.091 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.1 mt -57.63 -41.8 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 123.807 0.843 . . . . 0.0 110.603 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -50.28 74.45 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.6 0.76 . . . . 0.0 109.986 176.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.2 m -56.07 -45.36 79.33 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.832 0.453 . . . . 0.0 111.011 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.43 -42.35 96.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.013 0.925 . . . . 0.0 110.92 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -61.24 -46.1 91.82 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.938 0.895 . . . . 0.0 110.088 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.48 -37.45 87.6 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.746 0.819 . . . . 0.0 111.201 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.81 82.35 67.03 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 123.917 0.887 . . . . 0.0 110.393 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.95 -37.07 66.55 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 124.329 3.353 . . . . 0.0 112.935 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 p -53.57 -33.32 54.35 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.064 1.345 . . . . 0.0 112.569 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -89.35 42.66 1.1 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.999 0.919 . . . . 0.0 110.973 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -64.66 -58.6 5.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.105 0.562 . . . . 0.0 109.988 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.07 86.24 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.311 1.044 . . . . 0.0 111.637 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -63.83 -54.25 37.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.497 0.719 . . . . 0.0 110.645 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.5 t -57.88 -46.95 87.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.264 0 C-N-CA 123.193 0.597 . . . . 0.0 110.3 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp -52.76 -47.69 67.31 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.843 0.857 . . . . 0.0 110.608 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.65 -60.75 8.43 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.454 1.026 . . . . 0.0 112.104 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.08 -36.49 84.2 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.477 0.638 . . . . 0.0 112.109 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.81 76.92 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.216 0.607 . . . . 0.0 110.354 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -64.18 -38.04 89.62 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 122.756 0.423 . . . . 0.0 110.736 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -44.06 97.74 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.081 0.4 . . . . 0.0 110.461 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.18 -47.63 79.06 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.864 0.465 . . . . 0.0 110.575 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -56.49 -48.18 77.69 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.138 0.575 . . . . 0.0 110.572 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.08 -46.99 88.41 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.244 1.418 . . . . 0.0 111.58 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.4 p -66.22 -20.58 66.17 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.968 0.507 . . . . 0.0 112.2 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -88.57 -21.48 24.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.928 0.891 . . . . 0.0 110.184 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.01 93.48 0.06 OUTLIER Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 126.381 1.872 . . . . 0.0 113.442 169.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.18 -42.65 65.44 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.86 3.04 . . . . 0.0 112.839 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.296 -1.335 . . . . 0.0 109.0 178.242 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -80.09 69.95 6.59 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.825 0.85 . . . . 0.0 109.667 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -72.02 103.1 3.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.488 0.715 . . . . 0.0 109.282 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -79.66 69.91 6.05 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.296 1.038 . . . . 0.0 110.412 -174.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.98 -42.76 85.74 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.566 1.146 . . . . 0.0 112.289 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.43 79.22 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.543 0.737 . . . . 0.0 111.191 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.04 -49.24 75.37 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.193 0.597 . . . . 0.0 110.073 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.22 -55.83 26.83 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 123.755 0.822 . . . . 0.0 110.675 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -52.96 -52.84 56.75 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.79 0.836 . . . . 0.0 110.876 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.1 -55.77 30.43 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.941 0.496 . . . . 0.0 111.523 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -57.01 -51.21 70.17 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.035 0.934 . . . . 0.0 111.528 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.04 -49.41 75.89 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.261 1.824 . . . . 0.0 111.085 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -67.99 -44.34 76.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.647 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 t -52.62 -45.76 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.595 0.758 . . . . 0.0 110.627 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.8 mt -63.01 -51.34 67.18 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.465 0.306 . . . . 0.0 110.638 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -82.75 63.64 6.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.024 0.929 . . . . 0.0 111.139 -173.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.8 mtt -138.08 119.7 10.59 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.676 1.59 . . . . 0.0 107.41 175.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.1 -32.75 10.41 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 123.356 2.704 . . . . 0.0 113.515 -169.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -89.2 -15.85 32.72 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.198 0.454 . . . . 0.0 111.859 -170.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.8 127.88 34.23 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.482 0.583 . . . . 0.0 109.858 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -89.18 168.11 12.56 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 171.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.45 -56.24 5.25 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.964 1.306 . . . . 0.0 112.745 -172.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.78 -45.32 67.1 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.767 0.827 . . . . 0.0 111.855 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -66.41 -57.78 6.69 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.516 0.726 . . . . 0.0 111.126 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -61.61 -41.26 97.2 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.555 -0.259 . . . . 0.0 111.605 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.04 -45.48 92.7 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.323 0.649 . . . . 0.0 110.16 173.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.96 -51.15 41.68 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -62.51 -36.38 82.36 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 118.942 -0.552 . . . . 0.0 112.006 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.9 -43.33 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 119.157 0.889 . . . . 0.0 110.354 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -61.7 -43.39 98.95 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.664 0.665 . . . . 0.0 110.738 175.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -59.01 -44.61 91.73 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.1 0.56 . . . . 0.0 111.316 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.54 -57.83 11.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.518 1.127 . . . . 0.0 109.241 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -53.1 -45.54 68.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.144 1.378 . . . . 0.0 111.986 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.02 -46.49 71.09 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.935 0.894 . . . . 0.0 111.201 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -118.83 78.65 16.13 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 125.005 1.322 . . . . 0.0 109.416 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.08 -32.69 63.78 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.144 2.563 . . . . 0.0 111.576 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.8 p -56.34 -39.88 73.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.24 1.016 . . . . 0.0 111.302 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -89.97 30.61 1.05 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.305 1.042 . . . . 0.0 111.605 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.3 p -62.58 -51.35 67.68 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.846 0.748 . . . . 0.0 110.945 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.75 91.67 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.053 0.941 . . . . 0.0 111.463 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.0 -51.3 70.67 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.271 0.628 . . . . 0.0 110.45 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.3 t -57.63 -40.19 73.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 124.249 1.02 . . . . 0.0 111.057 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.86 -51.37 69.32 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 173.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.32 -51.19 52.78 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.252 0.929 . . . . 0.0 112.417 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -58.64 -46.85 86.23 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.259 1.024 . . . . 0.0 111.023 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.96 95.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.773 0.829 . . . . 0.0 111.241 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -63.81 -41.7 97.82 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.697 0.799 . . . . 0.0 110.742 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -61.57 -48.37 81.26 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.64 0.776 . . . . 0.0 110.391 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 tp -63.74 -43.69 95.75 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.74 0.416 . . . . 0.0 110.479 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -57.0 -51.04 70.84 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.647 0.779 . . . . 0.0 110.585 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.87 -47.52 85.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.57 1.148 . . . . 0.0 111.212 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.7 p -59.96 -33.43 71.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.837 0.455 . . . . 0.0 111.611 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -89.64 10.01 24.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.146 0.978 . . . . 0.0 112.353 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.97 141.34 84.11 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 119.173 0.897 . . . . 0.0 110.131 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -67.54 -43.7 5.38 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.015 2.477 . . . . 0.0 110.571 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.814 175.096 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 111.267 0.099 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 61.75 -90.61 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.87 1.668 . . . . 0.0 111.657 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 p80 39.22 50.82 1.97 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.694 1.998 . . . . 0.0 112.761 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -84.17 71.96 10.55 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.833 0.853 . . . . 0.0 109.258 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.17 -33.54 73.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.579 0.752 . . . . 0.0 111.555 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -46.87 84.7 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.903 0.881 . . . . 0.0 111.297 175.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -61.98 -35.32 78.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.497 0.719 . . . . 0.0 110.468 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -78.11 2.99 16.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.062 1.745 . . . . 0.0 112.808 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -51.93 -50.72 60.57 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.861 0.864 . . . . 0.0 112.109 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.53 -32.14 73.31 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.186 0.994 . . . . 0.0 111.555 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -62.68 -48.15 80.56 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.343 0.52 . . . . 0.0 110.301 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -54.08 -51.47 64.04 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.073 0.549 . . . . 0.0 110.352 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -57.78 -57.51 12.43 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.519 0.728 . . . . 0.0 110.563 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -52.2 -44.14 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 125.025 1.33 . . . . 0.0 111.811 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.56 -50.38 74.01 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.178 0.444 . . . . 0.0 110.401 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -84.35 65.55 8.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.851 0.86 . . . . 0.0 110.781 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.5 mmt -121.82 84.95 44.38 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 124.938 1.295 . . . . 0.0 107.834 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.22 -19.77 33.5 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.233 2.622 . . . . 0.0 113.439 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -89.13 -28.88 19.76 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.393 0.542 . . . . 0.0 110.384 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.7 mt -71.2 169.42 15.16 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 122.747 0.419 . . . . 0.0 110.159 170.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -110.95 -167.86 1.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.69 0.796 . . . . 0.0 109.244 169.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.56 -57.92 10.7 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.999 0.919 . . . . 0.0 112.26 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.99 -42.94 86.18 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.157 0.889 . . . . 0.0 112.024 -170.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -61.41 -60.62 3.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.014 0.926 . . . . 0.0 110.729 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -59.83 -44.81 93.86 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -63.02 -34.52 77.73 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 122.805 0.442 . . . . 0.0 111.29 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.6 -47.41 57.75 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 170.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -68.54 -32.74 72.89 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.366 -0.826 . . . . 0.0 112.584 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.1 mt -60.07 -49.43 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 119.792 1.178 . . . . 0.0 109.55 173.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -60.85 -40.26 92.21 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.741 0.416 . . . . 0.0 110.895 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 t -61.34 -41.03 96.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.758 0.423 . . . . 0.0 111.205 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.28 -55.03 36.53 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.168 0.987 . . . . 0.0 109.192 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -53.12 -46.3 68.71 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.641 1.176 . . . . 0.0 110.855 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.42 -45.48 76.0 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.833 0.853 . . . . 0.0 111.54 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -123.55 76.2 54.67 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 124.76 1.224 . . . . 0.0 110.381 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -66.54 -28.43 45.4 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.219 2.613 . . . . 0.0 111.429 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -58.1 -39.45 78.66 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.867 0.867 . . . . 0.0 111.057 170.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -94.43 22.5 6.04 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.062 0.945 . . . . 0.0 112.34 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -53.11 -39.95 63.81 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.137 0.88 . . . . 0.0 112.236 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.73 86.16 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.433 0.693 . . . . 0.0 111.479 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -62.65 -50.11 72.49 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.085 0.554 . . . . 0.0 110.188 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -53.2 -46.49 56.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.427 1.091 . . . . 0.0 111.067 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 tt -56.28 -55.33 34.67 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.681 1.192 . . . . 0.0 109.525 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.27 -51.86 48.08 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.114 0.864 . . . . 0.0 112.369 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -60.05 -47.36 86.19 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.697 1.199 . . . . 0.0 111.074 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.12 82.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.283 0.633 . . . . 0.0 111.054 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -65.55 -38.28 89.13 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.529 0.332 . . . . 0.0 111.328 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.73 -46.04 87.17 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.09 0.556 . . . . 0.0 110.425 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.31 -48.94 77.63 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.115 0.566 . . . . 0.0 109.851 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -54.66 -49.61 70.18 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.906 1.282 . . . . 0.0 111.035 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.46 -50.21 74.48 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.539 1.135 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.9 p -60.75 -35.34 76.16 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.794 0.438 . . . . 0.0 111.59 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -89.64 13.89 12.99 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.968 0.907 . . . . 0.0 112.28 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.05 125.63 89.59 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 118.958 0.799 . . . . 0.0 110.222 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.7 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 88.0 Cg_exo -50.34 -46.54 28.5 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.704 2.936 . . . . 0.0 113.101 175.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.7 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 65.5 tttp . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.381 -1.295 . . . . 0.0 109.4 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.37 132.35 43.84 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -39.07 -58.59 1.11 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 127.003 2.121 . . . . 0.0 113.62 -170.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -78.65 77.84 5.12 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -48.89 -36.09 16.3 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.365 1.466 . . . . 0.0 112.92 -174.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -44.62 -39.72 5.23 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.553 1.541 . . . . 0.0 113.421 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -64.46 -64.36 0.9 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.945 0.498 . . . . 0.0 110.689 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.6 35.34 0.88 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.772 1.229 . . . . 0.0 111.689 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -61.79 -54.51 41.36 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 123.427 0.691 . . . . 0.0 111.832 -172.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.77 -49.7 72.42 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.899 0.48 . . . . 0.0 110.991 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.18 -52.31 64.84 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.623 1.169 . . . . 0.0 111.421 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -55.8 -47.23 77.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.75 1.22 . . . . 0.0 111.438 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -61.92 -47.81 83.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.874 -0.584 . . . . 0.0 110.822 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -55.37 -41.67 63.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 118.616 0.644 . . . . 0.0 111.162 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.24 -47.71 83.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 117.956 0.344 . . . . 0.0 110.672 173.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -86.23 64.44 8.56 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.133 0.973 . . . . 0.0 110.555 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.4 mtt -134.38 87.49 32.59 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 125.237 1.415 . . . . 0.0 108.302 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -52.56 -27.35 32.31 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 125.002 3.802 . . . . 0.0 115.823 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -88.67 -16.6 31.95 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.557 0.617 . . . . 0.0 111.288 -171.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.9 mt -75.22 171.9 13.35 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 169.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -119.67 178.52 4.54 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.589 1.156 . . . . 0.0 108.857 170.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.41 -56.42 15.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.231 1.012 . . . . 0.0 111.464 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.63 -47.1 77.17 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.575 0.75 . . . . 0.0 111.433 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -63.51 -56.58 14.93 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.14 0.576 . . . . 0.0 111.338 -178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -61.72 -40.89 96.67 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 119.361 -0.352 . . . . 0.0 111.11 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -58.49 -44.23 89.33 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.444 0.698 . . . . 0.0 110.51 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.1 -50.97 43.45 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -64.7 -39.91 94.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.984 -0.532 . . . . 0.0 111.885 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.66 -45.11 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 119.116 0.871 . . . . 0.0 110.371 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -45.27 94.2 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.922 0.889 . . . . 0.0 110.854 176.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 t -58.41 -45.86 87.56 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.908 0.483 . . . . 0.0 111.346 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tt -58.55 -56.41 22.54 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.742 1.217 . . . . 0.0 109.497 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -53.26 -46.01 69.05 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.679 1.592 . . . . 0.0 111.089 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.29 -46.77 85.24 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.624 1.169 . . . . 0.0 111.399 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -135.01 81.28 45.89 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 123.493 0.717 . . . . 0.0 110.654 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -56.91 -31.35 89.06 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 124.459 3.439 . . . . 0.0 114.086 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -53.79 -44.27 69.98 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.754 0.822 . . . . 0.0 111.619 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -97.47 31.32 2.57 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.634 0.773 . . . . 0.0 111.573 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -57.63 -35.41 70.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.02 0.528 . . . . 0.0 111.365 172.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.93 -44.9 96.56 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.003 0.921 . . . . 0.0 111.313 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.18 -48.65 75.11 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 122.595 0.358 . . . . 0.0 110.07 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -53.98 -47.09 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.949 0.9 . . . . 0.0 110.711 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.75 -47.17 83.24 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.903 0.881 . . . . 0.0 110.467 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.12 -54.04 36.51 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.999 0.809 . . . . 0.0 111.819 177.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -60.07 -44.82 94.46 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.086 0.954 . . . . 0.0 111.103 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.48 86.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.284 0.634 . . . . 0.0 111.254 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -65.74 -40.84 92.55 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.159 0.584 . . . . 0.0 110.765 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -59.38 -46.19 89.36 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.045 0.538 . . . . 0.0 110.119 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 tp -66.97 -44.51 80.3 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.918 0.487 . . . . 0.0 110.706 -178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -54.34 -50.24 67.88 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.602 1.161 . . . . 0.0 110.403 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.21 -49.46 77.54 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.298 1.039 . . . . 0.0 111.114 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.8 p -61.6 -34.79 76.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.7 0.4 . . . . 0.0 111.811 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -89.51 12.56 16.2 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.929 0.892 . . . . 0.0 112.028 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.21 161.02 78.67 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 119.019 0.827 . . . . 0.0 110.722 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 32.1 Cg_exo -67.25 -171.55 0.3 Allowed 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.312 2.674 . . . . 0.0 112.408 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 55' ' ' PRO . 65.5 tttp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.165 -1.398 . . . . 0.0 109.515 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.562 0.22 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 54.17 42.86 31.35 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.014 1.326 . . . . 0.0 110.437 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -172.98 -54.1 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.012 1.325 . . . . 0.0 108.854 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.98 66.33 5.43 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.534 1.133 . . . . 0.0 110.281 -175.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -90.53 43.95 1.17 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.147 1.379 . . . . 0.0 109.203 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.87 44.51 0.92 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.67 1.188 . . . . 0.0 111.061 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -77.19 -64.86 1.04 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.29 1.036 . . . . 0.0 108.893 -174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -55.95 -36.36 67.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.169 1.388 . . . . 0.0 111.495 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.36 -54.96 32.78 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.137 0.575 . . . . 0.0 109.982 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.97 -45.85 74.99 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.959 0.504 . . . . 0.0 110.963 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -56.21 -54.26 47.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.695 0.798 . . . . 0.0 110.993 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -60.17 -42.51 95.14 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.876 0.87 . . . . 0.0 111.698 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -63.73 -41.61 98.02 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.128 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.85 -39.06 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 118.644 0.656 . . . . 0.0 110.946 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.83 -45.02 95.65 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.888 0.767 . . . . 0.0 110.255 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -79.91 63.9 4.59 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.148 0.979 . . . . 0.0 110.515 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.5 mmt -125.16 88.61 53.89 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 125.136 1.374 . . . . 0.0 107.49 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.55 -22.44 33.06 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.359 2.706 . . . . 0.0 113.78 -169.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -88.94 -29.44 19.56 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.57 0.623 . . . . 0.0 110.545 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.6 mt -66.58 153.66 42.46 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 117.847 0.294 . . . . 0.0 110.574 175.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -89.88 179.96 5.86 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 169.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -57.64 12.17 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.412 0.685 . . . . 0.0 111.098 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.18 -47.41 62.2 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.864 0.865 . . . . 0.0 111.793 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.12 -59.83 4.79 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.08 0.952 . . . . 0.0 111.578 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -63.04 -46.05 89.37 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.96 0.345 . . . . 0.0 111.109 -174.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -62.46 -35.8 80.46 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.506 0.722 . . . . 0.0 110.971 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.9 59.63 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 172.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -66.18 -36.43 83.07 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 118.444 -0.789 . . . . 0.0 112.012 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -58.28 -46.47 88.91 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 119.744 1.156 . . . . 0.0 110.574 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -61.74 -45.19 95.01 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.041 0.382 . . . . 0.0 110.657 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -57.15 -41.21 78.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.979 0.512 . . . . 0.0 111.399 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.32 -50.85 64.06 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.76 1.224 . . . . 0.0 109.684 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -53.78 -45.87 70.82 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.542 1.137 . . . . 0.0 110.844 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.82 -45.25 75.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.741 0.817 . . . . 0.0 111.109 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -119.14 81.04 20.13 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.907 1.283 . . . . 0.0 109.676 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.08 -15.67 25.75 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.238 2.625 . . . . 0.0 112.41 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -72.72 -47.05 50.31 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.764 0.711 . . . . 0.0 110.495 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -94.1 33.64 1.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.447 0.699 . . . . 0.0 111.889 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -57.21 -34.09 68.18 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.335 0.654 . . . . 0.0 111.935 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.75 99.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.812 0.845 . . . . 0.0 111.169 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.52 -46.81 74.95 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.774 0.43 . . . . 0.0 109.977 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.7 t -57.45 -44.01 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 124.034 0.934 . . . . 0.0 110.811 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.16 -44.44 92.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.36 0.664 . . . . 0.0 110.203 174.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.98 -50.69 57.86 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 123.877 0.751 . . . . 0.0 111.748 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.84 -47.05 86.19 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.961 0.904 . . . . 0.0 110.832 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.35 82.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.493 0.717 . . . . 0.0 111.448 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -59.51 -46.76 87.91 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.296 1.038 . . . . 0.0 110.325 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.68 -49.41 77.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.44 0.696 . . . . 0.0 110.808 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.81 -35.33 80.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.647 0.779 . . . . 0.0 111.05 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -63.48 -53.4 52.62 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.216 1.006 . . . . 0.0 109.683 174.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.14 -48.19 82.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.795 1.238 . . . . 0.0 111.797 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.5 p -60.3 -35.36 75.41 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.615 0.766 . . . . 0.0 111.758 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -88.83 58.3 4.54 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.87 122.13 80.95 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 123.777 0.831 . . . . 0.0 109.788 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -51.34 -42.95 52.25 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.856 3.037 . . . . 0.0 112.928 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 pttp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.917 -1.516 . . . . 0.0 110.083 179.176 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 71.12 138.22 0.04 OUTLIER 'General case' 0 C--N 1.342 0.256 0 C-N-CA 126.581 1.953 . . . . 0.0 111.319 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -144.59 158.63 43.68 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.463 1.105 . . . . 0.0 109.203 -176.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 55.05 51.27 13.72 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.691 1.196 . . . . 0.0 110.53 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -90.05 33.89 0.86 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.641 1.176 . . . . 0.0 110.853 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.95 -46.22 65.76 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.039 0.936 . . . . 0.0 110.345 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -62.98 -44.41 96.12 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.184 0.593 . . . . 0.0 110.322 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -56.05 -49.44 73.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.147 0.979 . . . . 0.0 109.856 174.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -58.25 -46.09 86.6 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.846 0.859 . . . . 0.0 111.194 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.46 -54.87 40.68 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.401 0.546 . . . . 0.0 111.348 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -56.67 -49.05 76.22 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.816 0.847 . . . . 0.0 111.452 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -58.01 -48.85 78.8 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.909 1.284 . . . . 0.0 110.966 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.25 -45.72 92.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.752 0.821 . . . . 0.0 111.23 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.58 -42.64 40.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 118.363 0.529 . . . . 0.0 111.036 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.65 -51.79 52.19 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.086 0.403 . . . . 0.0 110.747 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -82.62 65.46 7.76 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.64 1.176 . . . . 0.0 110.658 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.6 mtt -132.8 99.89 15.03 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 126.214 1.806 . . . . 0.0 106.54 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -45.05 -36.66 11.81 Favored 'Trans proline' 0 C--N 1.348 0.505 1 C-N-CA 125.404 4.069 . . . . 0.0 116.226 -171.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -89.01 -18.5 27.23 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.835 -172.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.7 mt -79.1 122.8 26.68 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.474 0.579 . . . . 0.0 109.588 175.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -89.26 177.24 6.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 172.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.86 -53.36 7.61 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.308 1.443 . . . . 0.0 112.757 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.92 -49.2 63.56 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.549 0.739 . . . . 0.0 111.579 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -68.4 -57.24 6.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.581 0.752 . . . . 0.0 110.467 -174.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -64.84 -41.87 95.37 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.244 0.618 . . . . 0.0 111.806 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -61.33 -41.6 97.29 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.085 0.402 . . . . 0.0 110.237 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.61 -53.32 36.37 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.925 0.774 . . . . 0.0 111.399 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -60.02 -37.99 81.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.157 0.478 . . . . 0.0 111.55 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.48 -37.42 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.712 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.91 -42.04 97.51 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.549 1.068 . . . . 0.0 110.443 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 m -60.29 -41.76 94.05 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.749 0.42 . . . . 0.0 111.134 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.29 -55.43 28.36 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.378 1.071 . . . . 0.0 109.526 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -53.16 -44.62 67.96 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.801 1.24 . . . . 0.0 111.159 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.91 -46.18 90.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.195 0.998 . . . . 0.0 111.387 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -133.86 84.17 44.69 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 123.638 0.775 . . . . 0.0 110.171 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -55.48 -41.53 77.06 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 124.378 3.385 . . . . 0.0 113.471 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -59.02 -29.73 67.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.864 0.466 . . . . 0.0 112.244 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -93.34 20.77 6.71 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.831 0.853 . . . . 0.0 112.492 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.6 m -50.99 -38.54 51.75 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.44 1.018 . . . . 0.0 112.094 171.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.6 85.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.687 0.795 . . . . 0.0 111.478 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.53 -50.65 68.71 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 122.916 0.486 . . . . 0.0 110.204 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.19 -46.92 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.669 1.188 . . . . 0.0 110.788 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.68 -46.66 81.02 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.302 1.041 . . . . 0.0 110.332 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.89 -58.16 13.61 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -58.32 -37.95 76.12 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.683 0.793 . . . . 0.0 111.769 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.05 86.62 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.975 0.51 . . . . 0.0 111.008 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -65.08 -41.55 94.94 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.014 0.37 . . . . 0.0 111.125 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.2 -46.16 86.3 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.707 0.403 . . . . 0.0 110.428 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tp -67.12 -44.53 79.69 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.434 0.294 . . . . 0.0 110.756 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -52.04 -52.99 47.33 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.255 1.022 . . . . 0.0 110.049 174.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.85 -48.71 79.0 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.275 1.03 . . . . 0.0 111.46 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.5 p -63.15 -28.61 70.18 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.919 0.488 . . . . 0.0 112.161 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -88.48 55.22 3.32 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.36 126.44 92.32 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.486 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.6 -42.93 47.95 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.899 3.066 . . . . 0.0 113.011 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.25 1.117 0 CA-C-O 116.883 -1.532 . . . . 0.0 110.097 178.826 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -70.89 122.3 19.69 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -84.1 65.8 8.92 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 t70 61.73 102.48 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.289 1.836 . . . . 0.0 110.195 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -49.25 -49.06 45.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.255 1.422 . . . . 0.0 112.151 -174.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.15 -53.28 60.16 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.304 0.642 . . . . 0.0 111.2 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -55.69 -59.24 5.13 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 124.457 1.103 . . . . 0.0 110.754 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -63.32 -42.01 98.97 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -173.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.8 -52.83 54.71 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 122.842 0.457 . . . . 0.0 110.39 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.22 91.0 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.062 0.545 . . . . 0.0 110.722 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -58.68 -52.49 65.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.242 1.017 . . . . 0.0 111.047 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -54.0 -47.18 71.74 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.142 0.977 . . . . 0.0 110.995 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -61.22 -51.95 66.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.146 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.27 -41.07 59.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 118.836 0.744 . . . . 0.0 111.323 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -59.88 -52.74 64.14 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.253 0.479 . . . . 0.0 110.234 172.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -82.04 62.9 6.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.557 1.143 . . . . 0.0 111.061 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 39.0 mtt -133.36 88.28 35.58 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 125.505 1.522 . . . . 0.0 107.902 172.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -51.13 -29.49 28.79 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 125.007 3.804 . . . . 0.0 115.869 -174.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -88.93 -14.44 36.69 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.336 0.517 . . . . 0.0 112.029 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.9 mt -78.87 146.15 33.79 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.461 0.573 . . . . 0.0 109.98 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -89.48 170.07 10.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.35 0.66 . . . . 0.0 109.358 170.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.7 -55.62 21.38 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.409 1.084 . . . . 0.0 111.786 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.04 -49.16 66.86 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.657 0.783 . . . . 0.0 111.327 -176.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.06 -63.03 1.44 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.374 0.67 . . . . 0.0 110.941 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 ptt85 -58.98 -39.05 80.6 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-O 119.215 -0.422 . . . . 0.0 111.919 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -62.81 -41.89 99.49 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.309 0.504 . . . . 0.0 110.63 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.03 -51.9 43.23 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -60.23 -46.75 88.7 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.448 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.4 mt -53.63 -50.75 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 124.339 1.056 . . . . 0.0 111.042 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -57.48 -52.83 63.8 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.587 0.355 . . . . 0.0 110.088 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.3 t -52.92 -40.81 63.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.355 0.662 . . . . 0.0 111.726 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -55.69 31.65 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.224 1.409 . . . . 0.0 110.602 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.25 -33.52 67.56 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.147 0.579 . . . . 0.0 111.582 -175.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -65.21 -45.27 85.42 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.195 0.598 . . . . 0.0 110.449 174.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -121.66 78.41 38.47 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 124.826 1.25 . . . . 0.0 109.663 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.76 -26.76 38.53 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.225 2.617 . . . . 0.0 111.944 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.2 p -64.11 -14.33 54.04 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.35 0.523 . . . . 0.0 112.267 174.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -116.37 32.28 6.22 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.88 1.272 . . . . 0.0 111.072 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.7 m -55.6 -47.97 75.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.199 0.454 . . . . 0.0 110.579 172.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.51 98.74 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.277 1.031 . . . . 0.0 111.96 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -64.97 -52.03 58.47 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.893 0.477 . . . . 0.0 110.328 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.28 -47.71 68.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 124.358 1.063 . . . . 0.0 110.468 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -54.91 -51.83 64.82 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.395 1.078 . . . . 0.0 110.15 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.57 -57.55 15.31 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.133 0.873 . . . . 0.0 111.781 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -55.87 -49.55 73.06 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.977 0.911 . . . . 0.0 111.078 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.6 87.08 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.491 0.716 . . . . 0.0 111.694 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.46 -43.31 73.52 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 123.177 0.591 . . . . 0.0 111.127 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -61.79 -41.31 97.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.385 0.539 . . . . 0.0 110.768 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.47 -50.81 71.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.694 0.798 . . . . 0.0 110.399 176.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -55.35 -47.18 76.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.312 1.045 . . . . 0.0 110.967 176.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.95 -47.56 85.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.736 1.214 . . . . 0.0 111.17 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.6 p -62.39 -29.71 70.68 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.621 0.368 . . . . 0.0 111.877 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -89.4 4.32 49.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.691 0.796 . . . . 0.0 112.341 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.59 128.48 92.98 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 119.24 0.927 . . . . 0.0 109.914 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -82.05 -162.17 0.17 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.605 2.87 . . . . 0.0 109.52 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 mttp . . . . . 0 C--O 1.25 1.127 0 C-N-CA 125.195 1.398 . . . . 0.0 109.079 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.787 0.327 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -157.35 178.51 10.24 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.486 1.114 . . . . 0.0 109.541 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -136.29 128.46 29.83 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 175.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -81.3 64.19 5.93 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.897 0.879 . . . . 0.0 110.167 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -90.55 40.03 1.0 Allowed 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.29 1.436 . . . . 0.0 110.297 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.77 -48.35 75.46 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.29 1.036 . . . . 0.0 111.614 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -61.95 -53.18 59.23 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.884 0.874 . . . . 0.0 110.571 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -52.42 65.57 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 124.368 1.067 . . . . 0.0 110.274 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -57.63 -47.22 82.81 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.036 0.934 . . . . 0.0 111.381 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.44 -55.52 32.56 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.931 0.492 . . . . 0.0 110.927 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -52.84 -45.76 67.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.329 1.051 . . . . 0.0 111.327 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.36 -52.91 61.75 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.815 1.246 . . . . 0.0 110.835 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -59.87 -44.48 94.14 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.499 0.59 . . . . 0.0 111.41 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.8 t -52.83 -47.05 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.705 0.802 . . . . 0.0 111.019 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -65.85 -55.22 18.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.828 0.285 . . . . 0.0 110.701 174.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -83.8 68.03 9.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.957 1.303 . . . . 0.0 110.561 -173.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.8 mtm -142.03 142.04 23.56 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 124.663 1.185 . . . . 0.0 108.338 169.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.39 -44.59 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.546 2.831 . . . . 0.0 113.396 -169.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -89.53 -17.78 27.92 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -169.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.0 mt -72.71 106.38 4.68 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -88.72 174.39 8.04 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.99 -58.76 1.35 Allowed 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.763 1.625 . . . . 0.0 113.258 -172.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.04 -46.14 64.95 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.063 0.945 . . . . 0.0 111.816 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -68.64 -57.86 5.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.833 0.853 . . . . 0.0 110.22 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -62.01 -43.1 99.56 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.869 0.467 . . . . 0.0 111.405 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -61.36 -43.6 98.59 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.145 0.578 . . . . 0.0 110.312 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.59 -53.4 32.61 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 174.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -62.92 -37.11 85.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 118.962 -0.542 . . . . 0.0 112.395 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.47 -46.2 95.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.856 0.753 . . . . 0.0 110.139 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -62.07 -42.42 99.18 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.151 0.432 . . . . 0.0 110.966 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 m -58.7 -45.25 89.92 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.938 0.495 . . . . 0.0 111.158 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.47 -52.42 65.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.539 1.136 . . . . 0.0 109.622 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -55.44 -49.11 73.31 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.548 1.139 . . . . 0.0 110.666 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.43 -46.05 84.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.889 0.876 . . . . 0.0 111.336 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -118.81 79.02 16.4 Favored Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 125.042 1.337 . . . . 0.0 109.505 -176.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -63.0 -38.05 49.15 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.913 2.409 . . . . 0.0 111.618 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 p -57.86 -30.61 65.95 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.084 0.954 . . . . 0.0 112.261 175.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -89.72 35.39 0.83 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.798 0.839 . . . . 0.0 111.881 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -58.89 -47.17 85.92 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.737 -0.602 . . . . 0.0 110.911 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.46 97.36 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.287 1.035 . . . . 0.0 111.879 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -66.71 -51.57 54.53 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.942 0.497 . . . . 0.0 109.815 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.21 -44.84 66.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 124.194 0.998 . . . . 0.0 110.624 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 mt -53.61 -49.92 66.77 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.304 0.641 . . . . 0.0 110.645 172.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.8 -58.44 8.46 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 123.953 0.787 . . . . 0.0 111.877 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.45 -39.83 94.64 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.142 0.471 . . . . 0.0 111.753 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.94 -51.37 64.71 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.213 0.605 . . . . 0.0 111.402 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -58.09 -45.63 86.86 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.743 0.817 . . . . 0.0 110.635 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -47.01 87.37 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.215 0.606 . . . . 0.0 111.336 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.84 -41.34 91.88 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.12 0.568 . . . . 0.0 110.286 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -58.44 -48.6 80.19 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.008 0.523 . . . . 0.0 110.357 175.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.1 -49.55 76.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.932 0.893 . . . . 0.0 111.116 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.9 p -62.67 -29.73 70.86 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -89.35 7.5 35.41 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.611 0.764 . . . . 0.0 111.964 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.71 90.83 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 119.16 0.891 . . . . 0.0 109.692 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.471 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 28.1 Cg_endo -82.27 -160.38 0.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.606 2.871 . . . . 0.0 109.405 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 55' ' ' PRO . 66.7 tttm . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.244 -1.36 . . . . 0.0 109.533 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.85 -52.97 45.88 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.495 0.718 . . . . 0.0 111.123 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 t60 72.91 -54.09 0.7 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 126.384 1.874 . . . . 0.0 111.036 -171.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -55.42 138.39 46.12 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 123.637 0.775 . . . . 0.0 109.886 173.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -90.67 21.53 3.99 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.119 0.568 . . . . 0.0 111.511 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.74 -51.13 5.53 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 124.925 1.29 . . . . 0.0 111.011 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.14 -58.73 3.27 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -79.41 44.09 0.58 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.842 1.257 . . . . 0.0 111.19 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -74.95 -48.75 22.85 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.829 -0.545 . . . . 0.0 110.815 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.9 -46.69 81.78 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.055 0.542 . . . . 0.0 110.352 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -54.73 -52.03 63.77 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.762 1.225 . . . . 0.0 111.203 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -56.5 -46.23 80.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.604 0.761 . . . . 0.0 110.907 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -61.49 -43.67 98.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.826 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.63 -45.09 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 118.753 0.706 . . . . 0.0 110.534 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.26 -38.01 87.65 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 117.947 0.34 . . . . 0.0 111.527 174.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -68.4 -25.33 64.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.238 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.2 mmt -52.49 114.57 5.79 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 119.1 0.864 . . . . 0.0 110.846 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.98 -32.52 5.34 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.708 2.272 . . . . 0.0 113.437 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -89.47 -16.83 29.92 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.5 mt -68.77 157.04 37.21 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.771 0.714 . . . . 0.0 110.661 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -99.77 177.94 4.98 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.407 0.683 . . . . 0.0 109.335 169.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.95 -58.17 9.3 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.764 0.826 . . . . 0.0 111.276 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.52 -45.69 63.0 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.78 0.832 . . . . 0.0 111.841 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.88 -59.48 5.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.934 0.894 . . . . 0.0 111.359 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -61.55 -40.48 94.86 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 117.948 0.34 . . . . 0.0 111.191 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.39 -39.94 92.52 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.585 0.754 . . . . 0.0 110.707 175.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.94 -50.94 61.34 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -63.79 -39.23 93.74 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.451 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.99 -47.87 82.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 118.954 0.797 . . . . 0.0 110.143 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -47.26 80.43 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.53 0.732 . . . . 0.0 110.766 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m -59.4 -40.19 85.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.499 0.72 . . . . 0.0 111.305 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.53 -53.8 46.23 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.604 1.162 . . . . 0.0 109.298 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.08 -44.32 74.75 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.674 1.19 . . . . 0.0 111.202 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.99 -47.08 66.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.196 0.998 . . . . 0.0 111.177 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -122.28 76.2 42.73 Favored Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 125.035 1.334 . . . . 0.0 109.708 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.88 -32.78 44.81 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.007 2.471 . . . . 0.0 111.185 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.1 p -54.8 -36.48 64.98 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.061 0.944 . . . . 0.0 111.568 171.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -96.14 20.12 10.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.023 0.929 . . . . 0.0 112.384 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.5 p -53.85 -36.56 62.71 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.77 0.714 . . . . 0.0 112.439 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.82 88.84 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.918 0.887 . . . . 0.0 111.398 177.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -64.42 -47.3 79.65 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 123.178 0.591 . . . . 0.0 109.972 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -56.21 -48.55 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.201 1.0 . . . . 0.0 110.51 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.25 -43.37 92.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.743 0.817 . . . . 0.0 110.443 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.51 -51.36 55.19 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.936 0.779 . . . . 0.0 111.63 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -66.1 -37.1 84.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.563 0.745 . . . . 0.0 111.666 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.44 -47.81 84.01 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.783 0.433 . . . . 0.0 110.609 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -63.91 -39.77 94.93 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.778 0.831 . . . . 0.0 111.015 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.22 -49.54 75.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.007 0.923 . . . . 0.0 110.493 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 tp -65.8 -40.97 92.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.06 0.544 . . . . 0.0 110.307 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -57.47 -48.89 77.99 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.895 0.878 . . . . 0.0 110.825 174.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.11 -47.39 84.82 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.139 0.976 . . . . 0.0 111.028 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.3 p -59.95 -35.22 74.48 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.832 0.453 . . . . 0.0 111.615 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -89.67 9.14 28.14 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.01 0.924 . . . . 0.0 112.369 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.96 120.01 78.64 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 119.18 0.9 . . . . 0.0 110.784 -177.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.25 -48.3 0.64 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.245 1.963 . . . . 0.0 109.877 176.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.743 -1.122 . . . . 0.0 111.075 172.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -140.49 148.11 40.61 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.311 1.044 . . . . 0.0 109.639 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 57.1 47.46 17.28 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.706 1.202 . . . . 0.0 108.912 -173.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -157.96 166.11 33.44 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.447 1.099 . . . . 0.0 109.716 -168.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -53.15 -20.95 4.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.46 1.104 . . . . 0.0 112.941 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -42.08 -36.91 1.26 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.009 1.324 . . . . 0.0 112.746 170.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.69 -61.6 2.31 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.473 0.709 . . . . 0.0 110.878 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -64.23 -35.01 79.41 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.344 0.258 . . . . 0.0 111.558 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -63.02 -49.0 76.35 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.052 0.941 . . . . 0.0 110.013 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.95 81.76 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.044 0.538 . . . . 0.0 110.746 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -53.45 -51.57 62.26 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.004 0.922 . . . . 0.0 110.949 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -54.49 -55.13 32.11 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.884 1.274 . . . . 0.0 110.751 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.84 -45.57 86.04 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.383 0.673 . . . . 0.0 112.147 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.11 -45.96 77.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.873 0.869 . . . . 0.0 110.559 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.1 -37.7 88.25 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.572 0.349 . . . . 0.0 111.464 174.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 -69.11 -24.56 64.14 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.127 -0.94 . . . . 0.0 113.222 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.0 mmt -52.95 115.91 8.23 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 119.198 0.908 . . . . 0.0 110.831 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.99 -29.95 7.71 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.628 2.218 . . . . 0.0 113.124 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -89.42 -20.68 23.65 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -169.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.92 158.45 32.68 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.652 0.66 . . . . 0.0 110.932 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -101.99 177.12 4.98 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.684 0.794 . . . . 0.0 109.27 169.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.17 -55.8 28.71 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.954 0.902 . . . . 0.0 111.518 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -53.97 -45.71 71.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.621 0.768 . . . . 0.0 111.687 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.33 -58.28 8.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.815 0.846 . . . . 0.0 111.26 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -61.78 -40.85 96.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 117.878 0.308 . . . . 0.0 111.289 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.15 -43.01 96.08 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.52 0.728 . . . . 0.0 110.504 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.45 -50.68 55.88 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -65.63 -37.94 87.98 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 119.023 -0.513 . . . . 0.0 111.877 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mt -58.0 -49.91 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 118.907 0.776 . . . . 0.0 110.106 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -60.0 -44.24 94.66 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.763 177.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 t -57.14 -41.39 79.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.055 0.542 . . . . 0.0 111.32 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.3 -55.0 38.98 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.35 1.06 . . . . 0.0 109.544 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -57.4 -43.5 83.77 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.467 1.107 . . . . 0.0 111.539 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.41 -46.24 64.35 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.948 0.899 . . . . 0.0 111.03 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -127.55 72.28 77.76 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.595 1.158 . . . . 0.0 110.14 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -71.25 -18.46 30.28 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.41 2.74 . . . . 0.0 111.815 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.6 p -49.52 -41.36 40.79 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.72 1.208 . . . . 0.0 111.544 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -114.25 43.63 1.84 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.146 0.978 . . . . 0.0 110.595 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.1 t -54.82 -40.34 69.44 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.296 0.638 . . . . 0.0 111.117 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.63 -43.68 85.0 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.012 0.925 . . . . 0.0 111.534 175.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -63.8 -48.3 77.43 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 122.704 0.402 . . . . 0.0 110.097 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -54.24 -44.32 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.997 0.919 . . . . 0.0 110.831 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.31 -53.85 53.47 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.716 0.806 . . . . 0.0 109.49 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.33 -56.36 19.91 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.54 1.067 . . . . 0.0 112.653 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.45 -32.8 74.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.62 0.768 . . . . 0.0 111.999 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.41 92.3 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.192 0.451 . . . . 0.0 110.403 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -39.87 95.84 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.972 0.509 . . . . 0.0 110.213 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.03 -49.39 77.83 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.977 -0.452 . . . . 0.0 110.512 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.95 -43.66 98.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.784 0.434 . . . . 0.0 110.598 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -53.2 -58.11 8.18 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.845 1.258 . . . . 0.0 110.668 174.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -59.93 -48.34 82.1 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.823 1.249 . . . . 0.0 111.713 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.5 p -65.53 -18.96 65.71 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -88.81 -67.43 0.84 Allowed 'General case' 0 C--N 1.341 0.216 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 41.59 68.14 2.74 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 124.922 1.289 . . . . 0.0 113.401 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -82.49 -162.45 0.18 Allowed 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 123.8 3.0 . . . . 0.0 109.409 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 C--O 1.251 1.132 0 CA-C-O 117.131 -1.414 . . . . 0.0 109.829 178.714 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -71.49 -55.3 8.15 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.811 0.845 . . . . 0.0 109.321 176.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -151.72 63.95 0.86 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 42.95 36.07 0.84 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.5 1.92 . . . . 0.0 113.665 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -44.07 95.84 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.595 1.158 . . . . 0.0 111.48 -176.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.39 94.82 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.324 0.65 . . . . 0.0 110.859 177.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -63.18 -56.95 12.41 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.859 0.864 . . . . 0.0 110.925 -177.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -62.34 -36.67 82.94 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 119.37 -0.348 . . . . 0.0 111.403 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.82 -46.33 85.59 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.849 0.46 . . . . 0.0 110.648 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.69 84.3 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.939 0.495 . . . . 0.0 110.862 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.09 -50.81 72.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.411 1.085 . . . . 0.0 110.658 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -58.08 -46.61 85.19 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.66 1.184 . . . . 0.0 111.248 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -57.68 -45.81 85.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.783 -0.627 . . . . 0.0 110.835 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.22 -41.13 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 118.64 0.655 . . . . 0.0 111.215 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 99.0 mt -58.55 -44.09 89.55 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.966 0.803 . . . . 0.0 110.62 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -87.11 69.85 10.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.143 0.977 . . . . 0.0 109.969 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.3 mmt -124.34 92.86 47.51 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 125.087 1.355 . . . . 0.0 109.043 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.38 -34.6 71.81 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 124.854 3.703 . . . . 0.0 115.557 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.57 -36.61 16.24 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.194 0.452 . . . . 0.0 110.223 -170.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.93 166.32 7.58 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.205 0.526 . . . . 0.0 110.77 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -108.04 -176.47 3.07 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.585 1.154 . . . . 0.0 108.961 169.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -56.14 25.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.689 0.796 . . . . 0.0 111.243 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.63 -46.89 70.64 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.306 0.643 . . . . 0.0 111.645 -177.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -61.52 -58.52 7.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.415 0.686 . . . . 0.0 111.577 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -62.29 -40.14 95.28 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -63.64 -35.75 81.55 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.83 0.452 . . . . 0.0 110.82 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.39 -49.36 79.45 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.911 0.767 . . . . 0.0 111.368 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -58.09 -45.53 87.03 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.277 0.631 . . . . 0.0 110.961 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mt -55.1 -44.67 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 123.189 0.596 . . . . 0.0 110.952 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -49.76 73.93 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.794 0.837 . . . . 0.0 110.86 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -54.75 -42.9 72.21 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.225 0.61 . . . . 0.0 110.929 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -46.09 90.03 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.031 0.533 . . . . 0.0 110.593 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.05 -42.47 94.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.89 0.876 . . . . 0.0 111.27 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -56.68 -40.26 75.24 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.246 0.618 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -145.96 97.38 4.53 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -47.41 -34.93 20.29 Favored 'Trans proline' 0 C--N 1.348 0.531 1 C-N-CA 125.566 4.177 . . . . 0.0 115.266 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -64.87 -8.49 15.57 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -88.86 37.38 0.84 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.902 0.774 . . . . 0.0 110.43 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -65.59 -58.37 5.92 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.752 -0.593 . . . . 0.0 109.805 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.15 96.87 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.246 1.018 . . . . 0.0 111.633 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -59.32 -58.87 6.71 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.924 0.89 . . . . 0.0 110.413 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.73 -44.04 80.69 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.643 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.35 -46.91 69.71 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.566 0.621 . . . . 0.0 111.208 174.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.99 -62.56 5.83 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.916 0.769 . . . . 0.0 111.544 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.57 -41.72 96.1 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.057 0.429 . . . . 0.0 111.822 -176.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.56 -51.64 67.74 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.407 0.683 . . . . 0.0 111.25 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -66.06 -40.13 90.67 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.96 0.504 . . . . 0.0 110.978 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -50.86 71.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.879 0.472 . . . . 0.0 110.23 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.92 -51.0 71.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.106 0.562 . . . . 0.0 109.933 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -50.17 -60.39 3.01 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.266 1.027 . . . . 0.0 110.269 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.31 -52.55 61.16 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.781 0.832 . . . . 0.0 111.327 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -64.18 -6.22 6.27 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -173.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -88.66 -38.73 14.56 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.025 0.829 . . . . 0.0 109.975 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.54 82.48 1.64 Allowed Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 123.859 0.864 . . . . 0.0 109.969 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.03 -49.16 16.93 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.584 3.523 . . . . 0.0 112.686 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt . . . . . 0 C--O 1.251 1.139 0 CA-C-O 117.186 -1.388 . . . . 0.0 109.154 174.806 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.01 -37.52 87.74 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.868 0.867 . . . . 0.0 112.483 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -130.4 -51.49 1.09 Allowed 'General case' 0 C--N 1.341 0.231 0 C-N-CA 124.226 1.01 . . . . 0.0 110.686 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 59.19 28.82 18.24 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.885 1.274 . . . . 0.0 111.508 -172.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.2 -36.07 78.98 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.824 0.849 . . . . 0.0 111.164 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.55 -47.41 81.68 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.619 0.768 . . . . 0.0 110.488 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -57.3 -52.16 66.45 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 123.66 0.784 . . . . 0.0 109.629 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -56.97 -50.35 72.94 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.711 1.604 . . . . 0.0 111.297 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -57.82 -49.69 75.8 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.266 1.027 . . . . 0.0 110.766 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.49 87.02 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.188 0.595 . . . . 0.0 111.069 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.66 -51.68 66.42 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.7 1.2 . . . . 0.0 110.717 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -58.39 -49.18 78.18 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.64 0.776 . . . . 0.0 110.915 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -56.74 -49.99 73.59 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 119.204 -0.426 . . . . 0.0 111.044 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.5 t -53.51 -44.31 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.583 0.753 . . . . 0.0 111.344 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.27 -52.95 59.92 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.298 0.499 . . . . 0.0 110.949 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -81.13 71.33 8.1 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.059 0.944 . . . . 0.0 110.392 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.4 mtt -135.25 93.46 16.76 Favored Pre-proline 0 CA--C 1.532 0.268 0 C-N-CA 125.44 1.496 . . . . 0.0 109.052 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -51.72 -29.6 34.19 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 124.981 3.788 . . . . 0.0 115.424 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.67 -31.13 18.66 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 118.49 0.586 . . . . 0.0 110.34 -172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 mt -68.5 144.2 54.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.177 0.444 . . . . 0.0 110.556 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -89.56 172.49 8.93 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 169.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.28 -53.62 51.28 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.823 0.849 . . . . 0.0 111.745 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.74 -49.32 68.42 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.574 0.75 . . . . 0.0 111.486 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -58.86 -58.96 6.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.68 0.792 . . . . 0.0 111.52 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -63.92 -46.65 83.84 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.709 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -61.93 -36.31 80.99 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.163 0.438 . . . . 0.0 110.667 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.67 -53.5 32.39 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 171.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -61.78 -37.22 83.51 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.751 -0.642 . . . . 0.0 112.327 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.42 -48.98 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 119.445 1.02 . . . . 0.0 110.338 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -61.29 -39.87 92.03 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.152 0.433 . . . . 0.0 111.162 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -60.29 -39.53 87.25 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.13 0.423 . . . . 0.0 111.396 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.76 -53.63 51.44 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.1 0.96 . . . . 0.0 109.408 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -54.25 -47.37 72.33 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.773 0.829 . . . . 0.0 111.219 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.39 -45.51 79.78 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.772 0.829 . . . . 0.0 111.496 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -120.29 77.88 26.18 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 125.043 1.337 . . . . 0.0 109.571 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.0 -36.44 38.17 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.072 2.514 . . . . 0.0 111.176 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 p -54.82 -42.44 71.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.105 0.962 . . . . 0.0 111.318 172.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -89.98 22.56 3.14 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.769 0.827 . . . . 0.0 112.185 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.3 t -57.12 -37.19 71.62 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.24 0.927 . . . . 0.0 111.37 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.44 92.1 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.83 0.852 . . . . 0.0 111.416 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -63.2 -51.68 65.35 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.43 0.692 . . . . 0.0 109.992 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.11 -47.87 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 125.033 1.333 . . . . 0.0 110.729 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.49 -50.37 73.98 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.167 0.587 . . . . 0.0 110.249 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.85 -52.15 40.75 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 123.835 0.731 . . . . 0.0 111.837 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -56.81 -43.56 81.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.263 1.025 . . . . 0.0 110.845 177.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.96 -44.18 90.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.427 0.691 . . . . 0.0 111.974 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.99 -48.33 80.32 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.062 0.945 . . . . 0.0 110.355 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -61.72 -51.59 67.73 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.516 0.726 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.46 -38.03 88.2 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.095 0.558 . . . . 0.0 110.816 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -58.38 -67.04 0.39 Allowed 'General case' 0 C--N 1.341 0.197 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -49.79 -52.6 30.83 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.171 0.989 . . . . 0.0 111.734 -173.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.1 p -55.67 -24.21 32.83 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -176.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -88.75 -22.12 23.48 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.899 -176.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -161.38 76.66 2.37 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 119.116 0.871 . . . . 0.0 111.807 170.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.64 -46.34 32.44 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 124.412 3.408 . . . . 0.0 113.101 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttp . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.188 -1.387 . . . . 0.0 109.317 179.415 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.674 0 CA-C-O 120.605 0.24 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -34.66 78.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.248 1.019 . . . . 0.0 111.806 178.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -136.57 96.02 3.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 57.19 -135.51 1.12 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -175.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.89 17.28 8.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.999 1.32 . . . . 0.0 113.149 173.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.3 73.14 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 119.237 0.926 . . . . 0.0 113.353 -171.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -59.06 -60.26 4.15 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.16 0.584 . . . . 0.0 111.137 -177.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -67.15 -37.9 84.57 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.338 0.655 . . . . 0.0 111.32 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -61.78 -51.11 69.66 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.755 0.822 . . . . 0.0 110.416 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.36 47.86 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.654 0.781 . . . . 0.0 110.381 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -53.01 -51.24 62.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.989 0.916 . . . . 0.0 111.632 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -58.19 -50.36 73.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.045 0.938 . . . . 0.0 111.061 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.22 -45.5 93.08 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.404 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.2 t -55.65 -45.61 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.919 0.888 . . . . 0.0 110.64 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.65 -56.66 18.57 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 173.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -85.75 56.61 4.04 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.373 1.069 . . . . 0.0 109.956 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.2 tpp -115.68 103.42 53.82 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -45.32 -45.13 15.63 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.768 3.645 . . . . 0.0 116.27 -170.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -97.35 13.48 29.5 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -168.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -106.31 129.12 54.39 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 119.051 0.841 . . . . 0.0 110.461 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -89.7 178.54 6.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.005 0.922 . . . . 0.0 108.855 169.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.78 -49.72 14.74 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 125.519 1.528 . . . . 0.0 113.385 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -54.54 -60.15 3.74 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.086 0.554 . . . . 0.0 111.396 -173.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -62.95 -54.75 33.59 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.955 0.502 . . . . 0.0 111.222 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -61.06 -43.38 98.97 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.35 -41.74 98.88 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.293 0.497 . . . . 0.0 110.503 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.63 -50.26 54.36 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.83 -41.29 95.87 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 118.852 -0.594 . . . . 0.0 111.733 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.5 -45.69 85.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.994 0.816 . . . . 0.0 110.265 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -63.0 -41.87 99.7 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.049 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -58.76 -42.24 88.46 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.52 0.6 . . . . 0.0 111.052 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.22 -50.01 75.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.216 1.406 . . . . 0.0 109.475 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -57.96 -44.47 87.03 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.778 1.231 . . . . 0.0 111.077 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -65.67 -43.19 90.09 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.11 0.964 . . . . 0.0 111.072 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -130.26 80.7 70.13 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 124.047 0.939 . . . . 0.0 110.345 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -50.81 -46.01 32.65 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 124.323 3.349 . . . . 0.0 112.285 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.2 p -50.05 -40.78 46.21 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.055 1.342 . . . . 0.0 112.056 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -89.8 18.58 5.46 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.876 0.87 . . . . 0.0 112.694 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 p -49.62 -41.21 41.77 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.97 0.908 . . . . 0.0 112.369 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.75 83.67 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.967 0.907 . . . . 0.0 111.82 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -64.08 -48.25 76.9 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.831 0.452 . . . . 0.0 110.155 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -55.33 -45.02 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 124.506 1.122 . . . . 0.0 110.651 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.38 -49.4 77.95 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.373 0.669 . . . . 0.0 110.078 174.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.58 -48.74 55.0 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 123.747 0.689 . . . . 0.0 112.136 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -60.92 -46.36 91.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.487 1.115 . . . . 0.0 110.797 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.76 95.0 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.317 0.647 . . . . 0.0 111.71 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -68.28 -38.58 81.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.208 0.603 . . . . 0.0 110.875 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -63.46 -46.6 85.46 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.694 0.797 . . . . 0.0 110.318 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -54.18 47.26 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.518 1.127 . . . . 0.0 108.691 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -53.79 -48.11 70.14 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.779 0.832 . . . . 0.0 111.657 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.83 -45.6 93.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.31 1.044 . . . . 0.0 111.202 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -62.7 -37.49 86.67 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.587 -0.244 . . . . 0.0 110.866 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -89.94 37.64 0.89 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.681 0.792 . . . . 0.0 111.46 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.28 124.63 91.28 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -82.53 -161.1 0.14 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.597 2.864 . . . . 0.0 109.339 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.289 -1.339 . . . . 0.0 109.887 178.543 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 119.853 -0.118 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -56.44 -49.43 74.59 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.015 0.926 . . . . 0.0 111.477 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -60.03 -46.2 90.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.537 0.735 . . . . 0.0 111.124 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.74 -50.09 74.86 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.844 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.05 -42.2 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.807 0.843 . . . . 0.0 111.153 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.2 mt -57.87 -52.96 63.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.285 0.493 . . . . 0.0 110.044 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -82.29 62.72 6.13 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.819 0.848 . . . . 0.0 110.785 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.8 mmt -114.76 92.7 30.71 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 169.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.1 -20.04 25.58 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.283 2.656 . . . . 0.0 113.342 -169.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -89.06 -29.27 19.55 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.317 0.508 . . . . 0.0 110.186 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.13 147.21 48.63 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -89.45 163.55 15.21 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 169.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.33 -55.55 8.58 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.673 1.189 . . . . 0.0 112.751 -171.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -50.23 -42.86 52.5 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.761 0.824 . . . . 0.0 112.837 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -68.18 -56.18 9.66 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 122.651 0.38 . . . . 0.0 110.858 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -60.69 -39.28 87.9 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -60.58 -43.81 96.91 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.5 0.72 . . . . 0.0 110.29 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.84 -50.97 41.85 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -64.38 -36.3 83.71 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.843 -0.598 . . . . 0.0 112.419 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.43 -49.14 84.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 119.276 0.944 . . . . 0.0 110.025 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -62.59 -36.82 83.95 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.833 0.288 . . . . 0.0 111.242 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -62.46 -40.17 95.77 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.085 0.402 . . . . 0.0 111.08 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.99 -54.89 39.38 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.111 0.965 . . . . 0.0 109.137 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -53.55 -47.31 70.15 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.037 0.935 . . . . 0.0 111.355 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.98 -42.58 84.87 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.901 0.88 . . . . 0.0 111.694 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -122.2 74.39 39.77 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 125.168 1.387 . . . . 0.0 109.42 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.15 -37.52 31.84 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.27 2.646 . . . . 0.0 111.768 -174.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.6 p -60.69 -28.18 68.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.174 0.59 . . . . 0.0 111.872 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -98.17 25.35 6.23 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.056 0.942 . . . . 0.0 112.132 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -55.89 -38.16 69.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.701 0.682 . . . . 0.0 111.979 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.03 88.16 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.664 0.786 . . . . 0.0 111.347 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -63.36 -51.17 67.0 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 123.28 0.632 . . . . 0.0 110.432 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.23 -46.6 68.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.53 1.132 . . . . 0.0 110.703 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.22 -47.24 86.09 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.98 0.912 . . . . 0.0 110.586 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.61 -51.53 54.22 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.777 0.703 . . . . 0.0 111.642 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.77 -47.68 83.86 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.385 1.074 . . . . 0.0 110.837 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.59 -47.29 86.17 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.519 0.728 . . . . 0.0 111.535 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -65.05 -42.36 94.33 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.374 0.67 . . . . 0.0 110.918 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -62.2 -44.53 96.38 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.381 0.672 . . . . 0.0 110.499 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.67 -46.73 81.19 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.65 0.38 . . . . 0.0 110.077 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -55.0 -47.05 75.16 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.22 1.008 . . . . 0.0 110.825 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.64 -50.24 74.32 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.045 0.938 . . . . 0.0 111.049 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.3 p -62.17 -34.46 76.45 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.78 0.432 . . . . 0.0 111.858 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 123.888 0.875 . . . . 0.0 111.933 178.907 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 CA-C-O 119.891 -0.099 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -53.65 -54.65 34.72 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.364 1.066 . . . . 0.0 111.006 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -61.84 -50.93 70.3 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 122.924 0.49 . . . . 0.0 110.788 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -55.18 -49.07 72.81 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.505 0.722 . . . . 0.0 112.041 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.23 -41.09 91.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 122.954 0.501 . . . . 0.0 111.975 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.92 -41.07 99.34 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.442 0.564 . . . . 0.0 110.243 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -83.32 58.49 4.52 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.475 1.11 . . . . 0.0 110.399 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.6 mmt -118.39 133.81 23.48 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 124.938 1.295 . . . . 0.0 108.495 175.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.69 -43.76 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.046 2.497 . . . . 0.0 112.648 -174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -89.8 -29.14 18.85 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.966 0.506 . . . . 0.0 112.293 -169.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.8 133.93 53.02 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.462 0.574 . . . . 0.0 110.713 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -89.64 170.07 10.78 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.576 0.751 . . . . 0.0 109.257 169.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.36 -56.47 8.04 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.967 1.307 . . . . 0.0 112.649 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -51.1 -45.28 61.45 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.582 0.753 . . . . 0.0 111.846 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.65 -62.53 1.4 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.809 0.844 . . . . 0.0 110.789 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -61.89 -48.25 81.34 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.04 0.536 . . . . 0.0 111.648 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -63.54 -40.6 97.44 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.119 0.568 . . . . 0.0 110.561 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.21 -50.45 55.83 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.12 -36.05 82.31 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.988 0.394 . . . . 0.0 111.529 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.96 -43.66 92.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 118.55 0.614 . . . . 0.0 110.938 173.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -63.17 -37.47 87.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.591 0.632 . . . . 0.0 110.954 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 t -61.5 -41.52 97.41 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.192 0.451 . . . . 0.0 110.86 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -54.13 50.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.003 0.921 . . . . 0.0 109.777 177.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -56.16 -46.92 79.12 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.589 1.156 . . . . 0.0 110.899 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.15 -49.25 78.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.327 1.051 . . . . 0.0 111.303 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -131.36 91.69 34.32 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.864 0.866 . . . . 0.0 109.619 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -46.19 -38.27 19.51 Favored 'Trans proline' 0 N--CA 1.46 -0.478 1 C-N-CA 125.43 4.086 . . . . 0.0 115.444 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.4 p -56.79 -25.73 56.15 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.505 0.722 . . . . 0.0 112.806 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -89.65 36.59 0.85 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.982 0.913 . . . . 0.0 111.521 -173.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.7 p -69.4 -54.0 16.59 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.695 0.679 . . . . 0.0 110.078 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.31 -41.7 85.1 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.353 1.061 . . . . 0.0 111.023 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -60.79 -53.05 62.07 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.697 0.799 . . . . 0.0 110.544 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 t -54.45 -49.61 64.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 C-N-CA 124.702 1.201 . . . . 0.0 111.016 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.6 -50.26 73.72 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.964 0.906 . . . . 0.0 110.05 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.74 -59.5 10.71 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.548 1.07 . . . . 0.0 112.4 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.2 -37.94 87.24 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 117.439 0.619 . . . . 0.0 111.506 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.89 67.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.247 0.619 . . . . 0.0 110.932 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -62.17 -40.32 95.63 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.915 0.486 . . . . 0.0 110.924 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.82 -49.01 78.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.663 0.785 . . . . 0.0 110.543 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.75 -42.88 97.77 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.212 0.605 . . . . 0.0 110.372 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.06 -52.56 64.8 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.077 0.951 . . . . 0.0 110.205 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.48 -48.42 80.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.538 1.135 . . . . 0.0 111.246 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.1 p -60.55 -34.97 74.91 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.05 0.54 . . . . 0.0 111.433 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.515 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 119.846 -0.121 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -54.19 -49.43 69.36 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.541 0.736 . . . . 0.0 111.268 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -60.87 -47.47 86.22 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.414 0.685 . . . . 0.0 111.32 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -57.93 -50.81 72.07 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.748 0.419 . . . . 0.0 110.835 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.32 -42.19 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 123.223 0.609 . . . . 0.0 111.153 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -40.7 83.62 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.247 0.476 . . . . 0.0 111.356 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -71.03 -68.35 0.44 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.246 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.3 mtt -5.56 85.37 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 C-N-CA 129.069 2.948 . . . . 0.0 114.275 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -52.76 -28.39 38.03 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 124.848 3.699 . . . . 0.0 116.155 -170.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -88.71 -16.77 31.43 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.518 0.599 . . . . 0.0 111.723 -170.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.74 154.85 41.05 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.505 0.593 . . . . 0.0 110.078 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -96.4 177.22 5.77 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 168.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.04 -56.82 16.75 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.504 0.722 . . . . 0.0 111.32 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -52.67 -46.44 67.2 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.756 0.823 . . . . 0.0 111.644 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.47 -59.52 5.26 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.828 0.851 . . . . 0.0 111.173 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -62.54 -41.92 99.2 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 117.998 0.363 . . . . 0.0 111.578 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -62.03 -41.15 97.8 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.034 0.534 . . . . 0.0 110.681 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.09 -50.73 58.02 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -65.06 -36.91 85.84 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.993 -0.527 . . . . 0.0 111.867 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.6 -45.41 97.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 119.11 0.868 . . . . 0.0 110.231 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -62.69 -39.04 92.71 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.097 0.408 . . . . 0.0 111.0 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -61.9 -42.38 99.01 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.844 0.458 . . . . 0.0 111.011 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.53 -54.82 38.1 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.742 1.217 . . . . 0.0 109.255 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.68 -45.37 73.91 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.38 1.472 . . . . 0.0 111.233 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.95 -45.58 67.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.621 0.768 . . . . 0.0 111.263 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -120.4 76.02 25.03 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 109.54 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.36 -36.73 33.95 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.99 2.46 . . . . 0.0 111.36 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.5 p -55.85 -30.03 60.82 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.847 0.859 . . . . 0.0 112.176 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.91 15.61 21.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.256 1.023 . . . . 0.0 111.9 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 t -55.41 -35.43 65.35 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.139 0.881 . . . . 0.0 112.446 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.29 95.78 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.572 0.749 . . . . 0.0 111.258 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.13 -47.01 78.62 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.138 0.575 . . . . 0.0 110.254 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.4 t -55.51 -48.33 77.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 124.594 1.158 . . . . 0.0 110.441 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 tp -55.7 -47.43 76.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.591 0.756 . . . . 0.0 110.329 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.67 -60.33 8.83 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.075 0.845 . . . . 0.0 112.247 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -64.42 -35.38 80.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.282 0.541 . . . . 0.0 112.092 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.16 81.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.839 0.456 . . . . 0.0 110.651 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -63.17 -39.11 93.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.533 0.733 . . . . 0.0 110.618 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -61.12 -46.51 90.28 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.174 0.59 . . . . 0.0 110.413 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.74 -44.12 91.16 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.469 0.308 . . . . 0.0 110.692 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -54.41 -54.46 40.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.894 0.877 . . . . 0.0 110.096 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.34 -48.63 79.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.495 1.118 . . . . 0.0 111.528 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.4 p -60.52 -31.84 70.9 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.61 0.764 . . . . 0.0 111.861 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -56.36 -52.06 65.98 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.164 0.986 . . . . 0.0 111.111 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -58.18 -45.83 86.85 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.128 0.571 . . . . 0.0 110.654 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -59.15 -49.05 79.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.263 0.625 . . . . 0.0 111.343 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.05 -40.17 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.296 0.638 . . . . 0.0 111.278 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.67 -41.24 96.22 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.365 0.529 . . . . 0.0 111.214 173.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -67.19 -36.85 82.61 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.57 0.748 . . . . 0.0 112.552 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.9 mtt -50.05 113.21 3.25 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 124.62 1.168 . . . . 0.0 110.979 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.83 -26.15 4.76 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.95 2.433 . . . . 0.0 113.76 -169.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -88.96 -13.25 39.39 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 118.722 0.692 . . . . 0.0 112.561 -169.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.19 147.27 51.55 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.469 0.577 . . . . 0.0 109.772 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -89.92 175.29 7.26 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.56 -54.77 41.98 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.606 0.763 . . . . 0.0 111.37 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.83 -45.7 74.49 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.884 0.874 . . . . 0.0 111.449 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.76 -60.83 3.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.187 0.995 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -60.34 -42.88 96.58 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 119.256 -0.402 . . . . 0.0 110.947 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -59.92 -44.25 94.42 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.537 0.735 . . . . 0.0 110.854 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.18 -52.8 44.72 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -58.68 -51.51 69.62 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.19 0.596 . . . . 0.0 111.246 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.6 mt -50.44 -54.72 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.942 1.297 . . . . 0.0 110.798 178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -64.02 -44.53 92.29 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.133 0.573 . . . . 0.0 111.346 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -54.31 -45.33 72.57 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.97 0.508 . . . . 0.0 110.58 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -46.27 82.84 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.073 0.949 . . . . 0.0 110.848 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.33 -44.77 80.33 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.067 0.947 . . . . 0.0 110.526 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -65.51 -45.78 82.21 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.732 0.813 . . . . 0.0 110.799 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -120.46 78.12 27.72 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 124.796 1.238 . . . . 0.0 109.763 -174.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -62.89 -25.81 74.37 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.539 2.826 . . . . 0.0 112.61 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -54.07 -31.64 52.31 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.867 0.867 . . . . 0.0 112.3 173.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -89.55 39.49 0.95 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.924 0.89 . . . . 0.0 111.417 -173.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.0 m -63.09 -60.27 3.66 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 122.837 0.455 . . . . 0.0 110.389 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.55 89.89 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.794 0.838 . . . . 0.0 111.605 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -62.2 -58.98 5.76 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.752 0.821 . . . . 0.0 110.528 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.0 t -58.6 -42.04 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.277 0.631 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.28 -49.87 73.01 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.316 0.647 . . . . 0.0 109.798 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.85 -57.12 20.46 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.039 0.828 . . . . 0.0 111.64 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.57 -49.09 68.47 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.306 1.042 . . . . 0.0 111.23 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.36 97.18 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.937 0.895 . . . . 0.0 111.443 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.24 -39.83 93.24 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.609 0.364 . . . . 0.0 110.931 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -61.75 -45.66 92.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.142 0.428 . . . . 0.0 110.323 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.5 -43.04 95.36 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.654 0.382 . . . . 0.0 110.799 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -59.53 -49.85 76.2 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.494 1.117 . . . . 0.0 110.74 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.39 -49.44 76.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.632 1.173 . . . . 0.0 111.139 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.0 p -61.26 -31.31 71.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.0 0.52 . . . . 0.0 111.98 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 CA--C 1.536 0.44 0 C-N-CA 123.614 0.766 . . . . 0.0 112.243 177.681 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.64 -49.67 67.39 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.62 0.768 . . . . 0.0 111.248 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.45 -53.34 59.22 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.978 0.911 . . . . 0.0 111.119 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.75 -43.75 98.23 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 119.087 -0.482 . . . . 0.0 111.706 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.1 t -54.77 -40.2 50.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 118.561 0.619 . . . . 0.0 111.061 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.73 -53.85 29.06 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.113 0.415 . . . . 0.0 110.234 172.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -83.36 64.72 7.96 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.631 1.172 . . . . 0.0 110.81 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.7 mtt -139.19 89.77 12.21 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 125.094 1.358 . . . . 0.0 108.834 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.33 -28.31 42.74 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.924 3.749 . . . . 0.0 115.948 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -88.59 -20.62 24.76 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 118.771 0.714 . . . . 0.0 111.36 -169.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.24 171.72 10.57 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 170.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -119.37 175.96 5.57 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.53 1.132 . . . . 0.0 109.29 170.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.52 -55.94 21.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.341 1.056 . . . . 0.0 111.466 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.14 -47.06 75.61 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.695 0.798 . . . . 0.0 111.426 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.21 -55.71 19.74 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.877 0.871 . . . . 0.0 111.475 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -62.82 -40.93 98.92 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 117.848 0.295 . . . . 0.0 111.138 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.1 -43.08 99.43 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.365 0.666 . . . . 0.0 110.339 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.99 -49.44 58.92 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -64.12 -39.92 95.07 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.903 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -58.82 -45.0 91.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.297 0.953 . . . . 0.0 110.37 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -64.04 -40.65 96.76 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 119.251 -0.404 . . . . 0.0 111.057 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -58.62 -41.68 86.45 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.462 0.574 . . . . 0.0 110.624 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -46.43 90.23 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.828 1.251 . . . . 0.0 110.058 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.23 -42.56 95.49 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.418 1.087 . . . . 0.0 110.735 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.45 -39.73 92.39 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.909 0.884 . . . . 0.0 111.173 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -131.58 77.61 72.81 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 123.917 0.887 . . . . 0.0 110.728 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.45 -41.43 76.95 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 124.427 3.418 . . . . 0.0 113.325 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.2 p -62.06 -35.74 79.54 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.739 0.816 . . . . 0.0 112.043 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -89.8 39.22 0.95 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.619 0.768 . . . . 0.0 110.897 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -61.8 -44.65 96.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.335 1.054 . . . . 0.0 110.595 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.0 82.3 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.443 1.097 . . . . 0.0 111.775 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -64.71 -51.88 60.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.937 0.495 . . . . 0.0 110.359 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.09 -45.09 76.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.92 0.888 . . . . 0.0 110.538 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.61 -45.66 91.29 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.626 0.77 . . . . 0.0 110.165 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.83 -50.93 52.41 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.818 0.723 . . . . 0.0 111.845 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.94 -44.61 94.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.159 0.583 . . . . 0.0 110.958 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.77 99.59 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.61 0.764 . . . . 0.0 111.91 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.11 -50.31 73.92 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.267 1.027 . . . . 0.0 110.115 174.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.05 -48.24 82.32 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.111 0.564 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.36 -47.34 76.75 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.391 0.276 . . . . 0.0 110.714 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -57.82 -47.61 82.13 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.297 1.039 . . . . 0.0 111.034 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.98 -50.77 69.45 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.292 1.037 . . . . 0.0 111.135 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.7 p -60.05 -34.37 73.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.993 0.517 . . . . 0.0 111.705 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 123.7 0.8 . . . . 0.0 112.353 178.446 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.219 0 CA-C-O 119.711 -0.185 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -56.99 -50.45 72.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.367 0.667 . . . . 0.0 111.297 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -60.95 -44.62 97.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.272 0.629 . . . . 0.0 111.259 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -61.24 -47.22 87.04 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.95 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.0 -39.86 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.664 0.786 . . . . 0.0 111.241 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.04 -50.98 71.6 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.555 0.616 . . . . 0.0 110.125 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -81.6 68.81 8.09 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.856 0.862 . . . . 0.0 110.602 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.5 mmt -122.94 93.51 48.28 Favored Pre-proline 0 CA--C 1.533 0.317 0 C-N-CA 125.411 1.484 . . . . 0.0 108.431 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.71 -38.08 55.4 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 124.604 3.536 . . . . 0.0 114.997 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -89.38 -30.37 18.43 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.714 -170.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.91 145.45 55.9 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.31 0.505 . . . . 0.0 111.038 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -89.27 170.73 10.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.9 -52.83 56.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.897 0.879 . . . . 0.0 111.656 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -53.58 -48.08 69.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.681 0.792 . . . . 0.0 111.351 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -61.43 -57.93 10.25 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.847 0.859 . . . . 0.0 111.646 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -64.5 -40.81 96.35 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -62.37 -39.35 92.88 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.22 0.463 . . . . 0.0 110.559 173.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.2 -51.98 43.3 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 173.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -63.88 -39.55 94.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.725 -0.655 . . . . 0.0 111.964 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.41 -49.18 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 119.242 0.928 . . . . 0.0 110.242 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -64.13 -37.67 88.28 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.936 0.495 . . . . 0.0 111.346 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -60.76 -44.03 97.24 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.746 0.419 . . . . 0.0 110.609 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -48.33 79.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.323 1.049 . . . . 0.0 109.918 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.46 -45.4 84.82 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.855 1.262 . . . . 0.0 110.666 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.58 -45.12 80.31 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.052 0.941 . . . . 0.0 111.138 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -118.58 77.01 13.8 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 125.111 1.364 . . . . 0.0 109.704 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.45 -29.84 62.24 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.004 2.469 . . . . 0.0 111.617 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.6 p -59.64 -34.59 73.0 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.084 0.954 . . . . 0.0 111.615 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -89.72 41.39 1.04 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.019 0.927 . . . . 0.0 110.746 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.6 t -63.97 -56.54 14.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.114 0.566 . . . . 0.0 110.52 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.68 94.04 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.119 0.968 . . . . 0.0 111.544 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.09 -53.53 54.11 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.737 0.815 . . . . 0.0 110.75 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -58.45 -45.36 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 123.785 0.834 . . . . 0.0 110.452 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.16 -46.32 75.75 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.158 0.583 . . . . 0.0 110.718 174.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -62.32 6.46 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.152 0.882 . . . . 0.0 111.611 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.68 -34.23 74.02 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 117.331 0.566 . . . . 0.0 112.199 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.43 83.97 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 122.725 0.41 . . . . 0.0 110.847 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -64.69 -37.16 86.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.574 0.35 . . . . 0.0 111.179 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.7 -49.1 77.82 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.359 0.527 . . . . 0.0 110.531 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.36 -39.2 93.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.84 0.291 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -58.8 -62.28 1.99 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.111 0.964 . . . . 0.0 109.934 174.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.36 -50.08 65.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.417 1.487 . . . . 0.0 112.103 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.0 p -58.56 -32.9 69.34 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.762 0.825 . . . . 0.0 112.241 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 177.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 111.228 0.085 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -57.31 -50.85 71.63 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.507 0.723 . . . . 0.0 111.22 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -60.11 -48.13 82.99 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.414 0.685 . . . . 0.0 110.706 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -54.01 -51.13 64.95 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.574 0.749 . . . . 0.0 111.12 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.7 t -57.45 -43.76 83.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.288 0.494 . . . . 0.0 111.104 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.85 -41.1 99.22 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.164 0.438 . . . . 0.0 111.926 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -77.87 -37.13 48.86 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.462 0.705 . . . . 0.0 112.82 -174.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.4 mtm -57.12 117.74 19.83 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 123.58 0.752 . . . . 0.0 111.279 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -75.92 -30.33 6.01 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.704 2.936 . . . . 0.0 113.909 -168.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -89.36 37.77 0.87 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.862 0.756 . . . . 0.0 110.646 -171.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.4 mt -122.86 141.17 52.17 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.884 1.674 . . . . 0.0 106.67 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -89.57 176.27 6.95 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 170.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.33 -55.35 32.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.395 0.678 . . . . 0.0 111.251 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -54.97 -43.2 73.29 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.398 0.679 . . . . 0.0 111.552 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -62.01 -61.27 2.6 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.156 0.582 . . . . 0.0 111.029 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -61.68 -44.23 97.34 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.989 0.358 . . . . 0.0 111.708 -173.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -62.85 -44.01 97.28 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 122.531 0.332 . . . . 0.0 110.436 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.68 -51.16 45.93 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -59.23 -46.7 87.77 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.676 0.791 . . . . 0.0 111.337 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -56.72 -45.59 82.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.026 0.53 . . . . 0.0 110.627 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -48.39 82.03 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.928 0.891 . . . . 0.0 111.211 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 m -55.07 -46.51 75.42 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.159 0.584 . . . . 0.0 111.3 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -51.74 63.73 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.628 0.771 . . . . 0.0 110.039 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.52 -43.39 75.68 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.292 1.437 . . . . 0.0 111.02 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.05 -45.94 91.19 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.582 1.153 . . . . 0.0 111.224 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -133.27 87.99 36.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 123.603 0.761 . . . . 0.0 109.593 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.96 -31.92 21.7 Favored 'Trans proline' 0 C--N 1.348 0.504 1 C-N-CA 125.434 4.089 . . . . 0.0 115.435 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.9 p -56.08 -24.67 41.45 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.911 0.884 . . . . 0.0 112.782 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -89.1 37.02 0.83 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.097 0.959 . . . . 0.0 110.984 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.8 m -64.3 -60.18 3.49 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.222 0.609 . . . . 0.0 109.817 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.61 87.83 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.162 0.985 . . . . 0.0 111.475 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -61.61 -57.78 10.68 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.559 0.743 . . . . 0.0 110.622 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.71 -43.42 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 123.209 0.604 . . . . 0.0 110.546 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -55.28 -49.58 71.75 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.99 0.516 . . . . 0.0 110.343 175.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.86 -55.43 29.08 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.994 0.806 . . . . 0.0 111.621 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -54.1 -54.59 37.36 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.305 1.042 . . . . 0.0 110.879 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.41 87.7 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.264 1.025 . . . . 0.0 111.929 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.25 -43.88 73.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.277 0.631 . . . . 0.0 111.076 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -60.51 -44.0 96.49 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.914 0.486 . . . . 0.0 110.124 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 tp -61.83 -51.53 67.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.504 0.322 . . . . 0.0 110.456 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.62 -49.85 69.51 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.33 1.052 . . . . 0.0 110.85 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.29 -49.55 77.17 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.518 1.127 . . . . 0.0 111.212 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.9 p -64.14 -35.92 82.37 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.037 0.535 . . . . 0.0 111.823 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 . . . . . 0 CA--C 1.534 0.36 0 C-N-CA 123.479 0.711 . . . . 0.0 109.975 -179.092 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 119.973 -0.06 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -54.98 -51.07 67.35 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.578 0.751 . . . . 0.0 111.485 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -58.66 -52.84 63.99 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 122.803 0.441 . . . . 0.0 111.206 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -60.93 -43.26 98.9 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.593 -175.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t -52.33 -41.87 36.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 118.389 0.541 . . . . 0.0 110.832 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -69.31 -43.34 73.96 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.021 0.373 . . . . 0.0 111.576 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -61.49 -43.86 98.11 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.118 0.967 . . . . 0.0 112.901 -174.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.3 mtt -45.69 110.62 1.18 Allowed Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 125.823 1.649 . . . . 0.0 112.171 -174.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -46.98 -42.39 25.51 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 125.058 3.839 . . . . 0.0 115.892 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -89.08 -2.35 58.51 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -170.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 mt -90.51 114.57 26.79 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -88.77 -176.19 5.15 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.96 -55.89 10.51 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.734 0.814 . . . . 0.0 111.647 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -50.63 -51.46 48.61 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.604 0.762 . . . . 0.0 111.492 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -64.45 -63.28 1.17 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.264 0.626 . . . . 0.0 111.325 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.52 -43.35 97.21 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.262 0.625 . . . . 0.0 112.139 -172.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -64.54 -36.45 84.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.234 0.47 . . . . 0.0 110.741 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.89 -52.67 51.53 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 174.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -59.79 -43.54 94.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.475 0.71 . . . . 0.0 111.091 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.1 mt -57.63 -41.8 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 123.807 0.843 . . . . 0.0 110.603 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -50.28 74.45 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.6 0.76 . . . . 0.0 109.986 176.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.2 m -56.07 -45.36 79.33 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.832 0.453 . . . . 0.0 111.011 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.43 -42.35 96.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.013 0.925 . . . . 0.0 110.92 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -61.24 -46.1 91.82 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.938 0.895 . . . . 0.0 110.088 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.48 -37.45 87.6 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.746 0.819 . . . . 0.0 111.201 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.81 82.35 67.03 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 123.917 0.887 . . . . 0.0 110.393 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.95 -37.07 66.55 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 124.329 3.353 . . . . 0.0 112.935 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 p -53.57 -33.32 54.35 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.064 1.345 . . . . 0.0 112.569 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -89.35 42.66 1.1 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.999 0.919 . . . . 0.0 110.973 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -64.66 -58.6 5.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.105 0.562 . . . . 0.0 109.988 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.07 86.24 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.311 1.044 . . . . 0.0 111.637 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -63.83 -54.25 37.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.497 0.719 . . . . 0.0 110.645 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.5 t -57.88 -46.95 87.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.264 0 C-N-CA 123.193 0.597 . . . . 0.0 110.3 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp -52.76 -47.69 67.31 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.843 0.857 . . . . 0.0 110.608 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.65 -60.75 8.43 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.454 1.026 . . . . 0.0 112.104 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.08 -36.49 84.2 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.477 0.638 . . . . 0.0 112.109 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.81 76.92 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.216 0.607 . . . . 0.0 110.354 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -64.18 -38.04 89.62 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 122.756 0.423 . . . . 0.0 110.736 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -44.06 97.74 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.081 0.4 . . . . 0.0 110.461 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.18 -47.63 79.06 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.864 0.465 . . . . 0.0 110.575 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -56.49 -48.18 77.69 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.138 0.575 . . . . 0.0 110.572 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.08 -46.99 88.41 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.244 1.418 . . . . 0.0 111.58 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.4 p -66.22 -20.58 66.17 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.968 0.507 . . . . 0.0 112.2 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 123.928 0.891 . . . . 0.0 110.184 173.711 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 119.651 -0.214 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -57.01 -51.21 70.17 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.035 0.934 . . . . 0.0 111.528 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.04 -49.41 75.89 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.261 1.824 . . . . 0.0 111.085 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -67.99 -44.34 76.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.647 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 t -52.62 -45.76 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.595 0.758 . . . . 0.0 110.627 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.8 mt -63.01 -51.34 67.18 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.465 0.306 . . . . 0.0 110.638 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -82.75 63.64 6.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.024 0.929 . . . . 0.0 111.139 -173.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.8 mtt -138.08 119.7 10.59 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.676 1.59 . . . . 0.0 107.41 175.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.1 -32.75 10.41 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 123.356 2.704 . . . . 0.0 113.515 -169.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -89.2 -15.85 32.72 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.198 0.454 . . . . 0.0 111.859 -170.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.8 127.88 34.23 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.482 0.583 . . . . 0.0 109.858 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -89.18 168.11 12.56 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 171.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.45 -56.24 5.25 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.964 1.306 . . . . 0.0 112.745 -172.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.78 -45.32 67.1 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.767 0.827 . . . . 0.0 111.855 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -66.41 -57.78 6.69 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.516 0.726 . . . . 0.0 111.126 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -61.61 -41.26 97.2 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.555 -0.259 . . . . 0.0 111.605 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.04 -45.48 92.7 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.323 0.649 . . . . 0.0 110.16 173.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.96 -51.15 41.68 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -62.51 -36.38 82.36 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 118.942 -0.552 . . . . 0.0 112.006 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.9 -43.33 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 119.157 0.889 . . . . 0.0 110.354 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -61.7 -43.39 98.95 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.664 0.665 . . . . 0.0 110.738 175.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -59.01 -44.61 91.73 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.1 0.56 . . . . 0.0 111.316 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.54 -57.83 11.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.518 1.127 . . . . 0.0 109.241 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -53.1 -45.54 68.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.144 1.378 . . . . 0.0 111.986 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.02 -46.49 71.09 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.935 0.894 . . . . 0.0 111.201 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -118.83 78.65 16.13 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 125.005 1.322 . . . . 0.0 109.416 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.08 -32.69 63.78 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.144 2.563 . . . . 0.0 111.576 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.8 p -56.34 -39.88 73.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.24 1.016 . . . . 0.0 111.302 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -89.97 30.61 1.05 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.305 1.042 . . . . 0.0 111.605 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.3 p -62.58 -51.35 67.68 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.846 0.748 . . . . 0.0 110.945 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.75 91.67 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.053 0.941 . . . . 0.0 111.463 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.0 -51.3 70.67 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.271 0.628 . . . . 0.0 110.45 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.3 t -57.63 -40.19 73.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 124.249 1.02 . . . . 0.0 111.057 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.86 -51.37 69.32 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 173.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.32 -51.19 52.78 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.252 0.929 . . . . 0.0 112.417 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -58.64 -46.85 86.23 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.259 1.024 . . . . 0.0 111.023 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.96 95.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.773 0.829 . . . . 0.0 111.241 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -63.81 -41.7 97.82 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.697 0.799 . . . . 0.0 110.742 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -61.57 -48.37 81.26 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.64 0.776 . . . . 0.0 110.391 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 tp -63.74 -43.69 95.75 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.74 0.416 . . . . 0.0 110.479 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -57.0 -51.04 70.84 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.647 0.779 . . . . 0.0 110.585 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.87 -47.52 85.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.57 1.148 . . . . 0.0 111.212 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.7 p -59.96 -33.43 71.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.837 0.455 . . . . 0.0 111.611 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 . . . . . 0 CA--C 1.536 0.422 0 C-N-CA 124.146 0.978 . . . . 0.0 112.353 178.784 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 119.321 -0.371 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -62.68 -48.15 80.56 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.343 0.52 . . . . 0.0 110.301 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -54.08 -51.47 64.04 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.073 0.549 . . . . 0.0 110.352 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -57.78 -57.51 12.43 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.519 0.728 . . . . 0.0 110.563 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -52.2 -44.14 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 125.025 1.33 . . . . 0.0 111.811 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.56 -50.38 74.01 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.178 0.444 . . . . 0.0 110.401 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -84.35 65.55 8.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.851 0.86 . . . . 0.0 110.781 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.5 mmt -121.82 84.95 44.38 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 124.938 1.295 . . . . 0.0 107.834 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.22 -19.77 33.5 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.233 2.622 . . . . 0.0 113.439 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -89.13 -28.88 19.76 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.393 0.542 . . . . 0.0 110.384 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.7 mt -71.2 169.42 15.16 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 122.747 0.419 . . . . 0.0 110.159 170.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -110.95 -167.86 1.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.69 0.796 . . . . 0.0 109.244 169.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.56 -57.92 10.7 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.999 0.919 . . . . 0.0 112.26 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.99 -42.94 86.18 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.157 0.889 . . . . 0.0 112.024 -170.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -61.41 -60.62 3.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.014 0.926 . . . . 0.0 110.729 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -59.83 -44.81 93.86 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -63.02 -34.52 77.73 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 122.805 0.442 . . . . 0.0 111.29 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.6 -47.41 57.75 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 170.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -68.54 -32.74 72.89 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.366 -0.826 . . . . 0.0 112.584 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.1 mt -60.07 -49.43 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 119.792 1.178 . . . . 0.0 109.55 173.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -60.85 -40.26 92.21 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.741 0.416 . . . . 0.0 110.895 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 t -61.34 -41.03 96.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.758 0.423 . . . . 0.0 111.205 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.28 -55.03 36.53 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.168 0.987 . . . . 0.0 109.192 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -53.12 -46.3 68.71 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.641 1.176 . . . . 0.0 110.855 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.42 -45.48 76.0 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.833 0.853 . . . . 0.0 111.54 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -123.55 76.2 54.67 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 124.76 1.224 . . . . 0.0 110.381 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -66.54 -28.43 45.4 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.219 2.613 . . . . 0.0 111.429 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -58.1 -39.45 78.66 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.867 0.867 . . . . 0.0 111.057 170.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -94.43 22.5 6.04 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.062 0.945 . . . . 0.0 112.34 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -53.11 -39.95 63.81 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.137 0.88 . . . . 0.0 112.236 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.73 86.16 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.433 0.693 . . . . 0.0 111.479 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -62.65 -50.11 72.49 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.085 0.554 . . . . 0.0 110.188 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -53.2 -46.49 56.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.427 1.091 . . . . 0.0 111.067 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 tt -56.28 -55.33 34.67 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.681 1.192 . . . . 0.0 109.525 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.27 -51.86 48.08 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.114 0.864 . . . . 0.0 112.369 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -60.05 -47.36 86.19 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.697 1.199 . . . . 0.0 111.074 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.12 82.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.283 0.633 . . . . 0.0 111.054 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -65.55 -38.28 89.13 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.529 0.332 . . . . 0.0 111.328 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.73 -46.04 87.17 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.09 0.556 . . . . 0.0 110.425 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.31 -48.94 77.63 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.115 0.566 . . . . 0.0 109.851 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -54.66 -49.61 70.18 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.906 1.282 . . . . 0.0 111.035 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.46 -50.21 74.48 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.539 1.135 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.9 p -60.75 -35.34 76.16 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.794 0.438 . . . . 0.0 111.59 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 . . . . . 0 CA--C 1.537 0.459 0 C-N-CA 123.968 0.907 . . . . 0.0 112.28 179.051 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.351 0.12 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.18 -52.31 64.84 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.623 1.169 . . . . 0.0 111.421 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -55.8 -47.23 77.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.75 1.22 . . . . 0.0 111.438 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -61.92 -47.81 83.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.874 -0.584 . . . . 0.0 110.822 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -55.37 -41.67 63.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 118.616 0.644 . . . . 0.0 111.162 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.24 -47.71 83.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 117.956 0.344 . . . . 0.0 110.672 173.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -86.23 64.44 8.56 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.133 0.973 . . . . 0.0 110.555 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.4 mtt -134.38 87.49 32.59 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 125.237 1.415 . . . . 0.0 108.302 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -52.56 -27.35 32.31 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 125.002 3.802 . . . . 0.0 115.823 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -88.67 -16.6 31.95 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.557 0.617 . . . . 0.0 111.288 -171.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.9 mt -75.22 171.9 13.35 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 169.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -119.67 178.52 4.54 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.589 1.156 . . . . 0.0 108.857 170.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.41 -56.42 15.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.231 1.012 . . . . 0.0 111.464 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.63 -47.1 77.17 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.575 0.75 . . . . 0.0 111.433 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -63.51 -56.58 14.93 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.14 0.576 . . . . 0.0 111.338 -178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -61.72 -40.89 96.67 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 119.361 -0.352 . . . . 0.0 111.11 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -58.49 -44.23 89.33 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.444 0.698 . . . . 0.0 110.51 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.1 -50.97 43.45 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -64.7 -39.91 94.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.984 -0.532 . . . . 0.0 111.885 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.66 -45.11 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 119.116 0.871 . . . . 0.0 110.371 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -45.27 94.2 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.922 0.889 . . . . 0.0 110.854 176.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 t -58.41 -45.86 87.56 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.908 0.483 . . . . 0.0 111.346 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tt -58.55 -56.41 22.54 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.742 1.217 . . . . 0.0 109.497 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -53.26 -46.01 69.05 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.679 1.592 . . . . 0.0 111.089 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.29 -46.77 85.24 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.624 1.169 . . . . 0.0 111.399 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -135.01 81.28 45.89 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 123.493 0.717 . . . . 0.0 110.654 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -56.91 -31.35 89.06 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 124.459 3.439 . . . . 0.0 114.086 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -53.79 -44.27 69.98 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.754 0.822 . . . . 0.0 111.619 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -97.47 31.32 2.57 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.634 0.773 . . . . 0.0 111.573 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -57.63 -35.41 70.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.02 0.528 . . . . 0.0 111.365 172.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.93 -44.9 96.56 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.003 0.921 . . . . 0.0 111.313 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.18 -48.65 75.11 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 122.595 0.358 . . . . 0.0 110.07 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -53.98 -47.09 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.949 0.9 . . . . 0.0 110.711 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.75 -47.17 83.24 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.903 0.881 . . . . 0.0 110.467 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.12 -54.04 36.51 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.999 0.809 . . . . 0.0 111.819 177.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -60.07 -44.82 94.46 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.086 0.954 . . . . 0.0 111.103 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.48 86.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.284 0.634 . . . . 0.0 111.254 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -65.74 -40.84 92.55 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.159 0.584 . . . . 0.0 110.765 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -59.38 -46.19 89.36 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.045 0.538 . . . . 0.0 110.119 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 tp -66.97 -44.51 80.3 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.918 0.487 . . . . 0.0 110.706 -178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -54.34 -50.24 67.88 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.602 1.161 . . . . 0.0 110.403 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.21 -49.46 77.54 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.298 1.039 . . . . 0.0 111.114 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.8 p -61.6 -34.79 76.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.7 0.4 . . . . 0.0 111.811 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 123.929 0.892 . . . . 0.0 112.028 179.05 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 119.898 -0.096 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -56.21 -54.26 47.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.695 0.798 . . . . 0.0 110.993 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -60.17 -42.51 95.14 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.876 0.87 . . . . 0.0 111.698 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -63.73 -41.61 98.02 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.128 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.85 -39.06 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 118.644 0.656 . . . . 0.0 110.946 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.83 -45.02 95.65 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.888 0.767 . . . . 0.0 110.255 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -79.91 63.9 4.59 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.148 0.979 . . . . 0.0 110.515 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.5 mmt -125.16 88.61 53.89 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 125.136 1.374 . . . . 0.0 107.49 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.55 -22.44 33.06 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.359 2.706 . . . . 0.0 113.78 -169.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -88.94 -29.44 19.56 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.57 0.623 . . . . 0.0 110.545 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.6 mt -66.58 153.66 42.46 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 117.847 0.294 . . . . 0.0 110.574 175.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -89.88 179.96 5.86 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 169.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -57.64 12.17 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.412 0.685 . . . . 0.0 111.098 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.18 -47.41 62.2 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.864 0.865 . . . . 0.0 111.793 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.12 -59.83 4.79 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.08 0.952 . . . . 0.0 111.578 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -63.04 -46.05 89.37 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.96 0.345 . . . . 0.0 111.109 -174.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -62.46 -35.8 80.46 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.506 0.722 . . . . 0.0 110.971 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.9 59.63 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 172.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -66.18 -36.43 83.07 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 118.444 -0.789 . . . . 0.0 112.012 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -58.28 -46.47 88.91 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 119.744 1.156 . . . . 0.0 110.574 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -61.74 -45.19 95.01 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.041 0.382 . . . . 0.0 110.657 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -57.15 -41.21 78.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.979 0.512 . . . . 0.0 111.399 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.32 -50.85 64.06 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.76 1.224 . . . . 0.0 109.684 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -53.78 -45.87 70.82 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.542 1.137 . . . . 0.0 110.844 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.82 -45.25 75.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.741 0.817 . . . . 0.0 111.109 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -119.14 81.04 20.13 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.907 1.283 . . . . 0.0 109.676 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.08 -15.67 25.75 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.238 2.625 . . . . 0.0 112.41 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -72.72 -47.05 50.31 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.764 0.711 . . . . 0.0 110.495 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -94.1 33.64 1.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.447 0.699 . . . . 0.0 111.889 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -57.21 -34.09 68.18 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.335 0.654 . . . . 0.0 111.935 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.75 99.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.812 0.845 . . . . 0.0 111.169 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.52 -46.81 74.95 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.774 0.43 . . . . 0.0 109.977 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.7 t -57.45 -44.01 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 124.034 0.934 . . . . 0.0 110.811 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.16 -44.44 92.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.36 0.664 . . . . 0.0 110.203 174.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.98 -50.69 57.86 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 123.877 0.751 . . . . 0.0 111.748 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.84 -47.05 86.19 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.961 0.904 . . . . 0.0 110.832 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.35 82.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.493 0.717 . . . . 0.0 111.448 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -59.51 -46.76 87.91 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.296 1.038 . . . . 0.0 110.325 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.68 -49.41 77.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.44 0.696 . . . . 0.0 110.808 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.81 -35.33 80.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.647 0.779 . . . . 0.0 111.05 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -63.48 -53.4 52.62 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.216 1.006 . . . . 0.0 109.683 174.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.14 -48.19 82.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.795 1.238 . . . . 0.0 111.797 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.5 p -60.3 -35.36 75.41 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.615 0.766 . . . . 0.0 111.758 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.806 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.233 0 N-CA-C 111.348 0.129 . . . . 0.0 111.348 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -56.67 -49.05 76.22 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.816 0.847 . . . . 0.0 111.452 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -58.01 -48.85 78.8 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.909 1.284 . . . . 0.0 110.966 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.25 -45.72 92.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.752 0.821 . . . . 0.0 111.23 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.58 -42.64 40.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 118.363 0.529 . . . . 0.0 111.036 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.65 -51.79 52.19 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.086 0.403 . . . . 0.0 110.747 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -82.62 65.46 7.76 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.64 1.176 . . . . 0.0 110.658 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.6 mtt -132.8 99.89 15.03 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 126.214 1.806 . . . . 0.0 106.54 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -45.05 -36.66 11.81 Favored 'Trans proline' 0 C--N 1.348 0.505 1 C-N-CA 125.404 4.069 . . . . 0.0 116.226 -171.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -89.01 -18.5 27.23 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.835 -172.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.7 mt -79.1 122.8 26.68 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.474 0.579 . . . . 0.0 109.588 175.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -89.26 177.24 6.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 172.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.86 -53.36 7.61 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.308 1.443 . . . . 0.0 112.757 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.92 -49.2 63.56 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.549 0.739 . . . . 0.0 111.579 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -68.4 -57.24 6.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.581 0.752 . . . . 0.0 110.467 -174.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -64.84 -41.87 95.37 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.244 0.618 . . . . 0.0 111.806 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -61.33 -41.6 97.29 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.085 0.402 . . . . 0.0 110.237 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.61 -53.32 36.37 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.925 0.774 . . . . 0.0 111.399 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -60.02 -37.99 81.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.157 0.478 . . . . 0.0 111.55 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.48 -37.42 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.712 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.91 -42.04 97.51 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.549 1.068 . . . . 0.0 110.443 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 m -60.29 -41.76 94.05 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.749 0.42 . . . . 0.0 111.134 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.29 -55.43 28.36 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.378 1.071 . . . . 0.0 109.526 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -53.16 -44.62 67.96 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.801 1.24 . . . . 0.0 111.159 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.91 -46.18 90.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.195 0.998 . . . . 0.0 111.387 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -133.86 84.17 44.69 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 123.638 0.775 . . . . 0.0 110.171 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -55.48 -41.53 77.06 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 124.378 3.385 . . . . 0.0 113.471 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -59.02 -29.73 67.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.864 0.466 . . . . 0.0 112.244 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -93.34 20.77 6.71 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.831 0.853 . . . . 0.0 112.492 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.6 m -50.99 -38.54 51.75 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.44 1.018 . . . . 0.0 112.094 171.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.6 85.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.687 0.795 . . . . 0.0 111.478 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.53 -50.65 68.71 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 122.916 0.486 . . . . 0.0 110.204 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.19 -46.92 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.669 1.188 . . . . 0.0 110.788 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.68 -46.66 81.02 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.302 1.041 . . . . 0.0 110.332 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.89 -58.16 13.61 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -58.32 -37.95 76.12 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.683 0.793 . . . . 0.0 111.769 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.05 86.62 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.975 0.51 . . . . 0.0 111.008 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -65.08 -41.55 94.94 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.014 0.37 . . . . 0.0 111.125 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.2 -46.16 86.3 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.707 0.403 . . . . 0.0 110.428 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tp -67.12 -44.53 79.69 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.434 0.294 . . . . 0.0 110.756 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -52.04 -52.99 47.33 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.255 1.022 . . . . 0.0 110.049 174.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.85 -48.71 79.0 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.275 1.03 . . . . 0.0 111.46 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.5 p -63.15 -28.61 70.18 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.919 0.488 . . . . 0.0 112.161 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 CA--C 1.533 0.291 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.517 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 110.722 -0.103 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -58.68 -52.49 65.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.242 1.017 . . . . 0.0 111.047 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -54.0 -47.18 71.74 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.142 0.977 . . . . 0.0 110.995 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -61.22 -51.95 66.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.146 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.27 -41.07 59.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 118.836 0.744 . . . . 0.0 111.323 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -59.88 -52.74 64.14 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.253 0.479 . . . . 0.0 110.234 172.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -82.04 62.9 6.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.557 1.143 . . . . 0.0 111.061 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 39.0 mtt -133.36 88.28 35.58 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 125.505 1.522 . . . . 0.0 107.902 172.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -51.13 -29.49 28.79 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 125.007 3.804 . . . . 0.0 115.869 -174.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -88.93 -14.44 36.69 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.336 0.517 . . . . 0.0 112.029 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.9 mt -78.87 146.15 33.79 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.461 0.573 . . . . 0.0 109.98 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -89.48 170.07 10.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.35 0.66 . . . . 0.0 109.358 170.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.7 -55.62 21.38 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.409 1.084 . . . . 0.0 111.786 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.04 -49.16 66.86 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.657 0.783 . . . . 0.0 111.327 -176.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.06 -63.03 1.44 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.374 0.67 . . . . 0.0 110.941 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 ptt85 -58.98 -39.05 80.6 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-O 119.215 -0.422 . . . . 0.0 111.919 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -62.81 -41.89 99.49 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.309 0.504 . . . . 0.0 110.63 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.03 -51.9 43.23 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -60.23 -46.75 88.7 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.448 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.4 mt -53.63 -50.75 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 124.339 1.056 . . . . 0.0 111.042 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -57.48 -52.83 63.8 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.587 0.355 . . . . 0.0 110.088 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.3 t -52.92 -40.81 63.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.355 0.662 . . . . 0.0 111.726 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -55.69 31.65 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.224 1.409 . . . . 0.0 110.602 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.25 -33.52 67.56 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.147 0.579 . . . . 0.0 111.582 -175.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -65.21 -45.27 85.42 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.195 0.598 . . . . 0.0 110.449 174.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -121.66 78.41 38.47 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 124.826 1.25 . . . . 0.0 109.663 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.76 -26.76 38.53 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.225 2.617 . . . . 0.0 111.944 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.2 p -64.11 -14.33 54.04 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.35 0.523 . . . . 0.0 112.267 174.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -116.37 32.28 6.22 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.88 1.272 . . . . 0.0 111.072 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.7 m -55.6 -47.97 75.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.199 0.454 . . . . 0.0 110.579 172.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.51 98.74 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.277 1.031 . . . . 0.0 111.96 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -64.97 -52.03 58.47 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.893 0.477 . . . . 0.0 110.328 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.28 -47.71 68.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 124.358 1.063 . . . . 0.0 110.468 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -54.91 -51.83 64.82 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.395 1.078 . . . . 0.0 110.15 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.57 -57.55 15.31 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.133 0.873 . . . . 0.0 111.781 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -55.87 -49.55 73.06 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.977 0.911 . . . . 0.0 111.078 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.6 87.08 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.491 0.716 . . . . 0.0 111.694 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.46 -43.31 73.52 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 123.177 0.591 . . . . 0.0 111.127 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -61.79 -41.31 97.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.385 0.539 . . . . 0.0 110.768 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.47 -50.81 71.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.694 0.798 . . . . 0.0 110.399 176.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -55.35 -47.18 76.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.312 1.045 . . . . 0.0 110.967 176.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.95 -47.56 85.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.736 1.214 . . . . 0.0 111.17 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.6 p -62.39 -29.71 70.68 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.621 0.368 . . . . 0.0 111.877 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 . . . . . 0 CA--C 1.536 0.434 0 C-N-CA 123.691 0.796 . . . . 0.0 112.341 177.233 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.172 0 CA-C-O 119.919 -0.086 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -52.84 -45.76 67.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.329 1.051 . . . . 0.0 111.327 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.36 -52.91 61.75 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.815 1.246 . . . . 0.0 110.835 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -59.87 -44.48 94.14 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.499 0.59 . . . . 0.0 111.41 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.8 t -52.83 -47.05 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.705 0.802 . . . . 0.0 111.019 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -65.85 -55.22 18.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.828 0.285 . . . . 0.0 110.701 174.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -83.8 68.03 9.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.957 1.303 . . . . 0.0 110.561 -173.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.8 mtm -142.03 142.04 23.56 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 124.663 1.185 . . . . 0.0 108.338 169.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.39 -44.59 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.546 2.831 . . . . 0.0 113.396 -169.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -89.53 -17.78 27.92 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -169.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.0 mt -72.71 106.38 4.68 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -88.72 174.39 8.04 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.99 -58.76 1.35 Allowed 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.763 1.625 . . . . 0.0 113.258 -172.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.04 -46.14 64.95 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.063 0.945 . . . . 0.0 111.816 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -68.64 -57.86 5.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.833 0.853 . . . . 0.0 110.22 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -62.01 -43.1 99.56 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.869 0.467 . . . . 0.0 111.405 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -61.36 -43.6 98.59 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.145 0.578 . . . . 0.0 110.312 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.59 -53.4 32.61 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 174.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -62.92 -37.11 85.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 118.962 -0.542 . . . . 0.0 112.395 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.47 -46.2 95.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.856 0.753 . . . . 0.0 110.139 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -62.07 -42.42 99.18 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.151 0.432 . . . . 0.0 110.966 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 m -58.7 -45.25 89.92 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.938 0.495 . . . . 0.0 111.158 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.47 -52.42 65.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.539 1.136 . . . . 0.0 109.622 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -55.44 -49.11 73.31 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.548 1.139 . . . . 0.0 110.666 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.43 -46.05 84.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.889 0.876 . . . . 0.0 111.336 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -118.81 79.02 16.4 Favored Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 125.042 1.337 . . . . 0.0 109.505 -176.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -63.0 -38.05 49.15 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.913 2.409 . . . . 0.0 111.618 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 p -57.86 -30.61 65.95 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.084 0.954 . . . . 0.0 112.261 175.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -89.72 35.39 0.83 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.798 0.839 . . . . 0.0 111.881 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -58.89 -47.17 85.92 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.737 -0.602 . . . . 0.0 110.911 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.46 97.36 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.287 1.035 . . . . 0.0 111.879 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -66.71 -51.57 54.53 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.942 0.497 . . . . 0.0 109.815 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.21 -44.84 66.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 124.194 0.998 . . . . 0.0 110.624 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 mt -53.61 -49.92 66.77 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.304 0.641 . . . . 0.0 110.645 172.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.8 -58.44 8.46 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 123.953 0.787 . . . . 0.0 111.877 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.45 -39.83 94.64 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.142 0.471 . . . . 0.0 111.753 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.94 -51.37 64.71 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.213 0.605 . . . . 0.0 111.402 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -58.09 -45.63 86.86 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.743 0.817 . . . . 0.0 110.635 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -47.01 87.37 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.215 0.606 . . . . 0.0 111.336 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.84 -41.34 91.88 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.12 0.568 . . . . 0.0 110.286 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -58.44 -48.6 80.19 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.008 0.523 . . . . 0.0 110.357 175.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.1 -49.55 76.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.932 0.893 . . . . 0.0 111.116 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.9 p -62.67 -29.73 70.86 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 CA--C 1.538 0.483 0 C-N-CA 123.611 0.764 . . . . 0.0 111.964 178.005 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -54.73 -52.03 63.77 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.762 1.225 . . . . 0.0 111.203 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -56.5 -46.23 80.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.604 0.761 . . . . 0.0 110.907 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -61.49 -43.67 98.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.826 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.63 -45.09 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 118.753 0.706 . . . . 0.0 110.534 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.26 -38.01 87.65 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 117.947 0.34 . . . . 0.0 111.527 174.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -68.4 -25.33 64.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.238 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.2 mmt -52.49 114.57 5.79 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 119.1 0.864 . . . . 0.0 110.846 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.98 -32.52 5.34 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.708 2.272 . . . . 0.0 113.437 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -89.47 -16.83 29.92 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.5 mt -68.77 157.04 37.21 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.771 0.714 . . . . 0.0 110.661 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -99.77 177.94 4.98 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.407 0.683 . . . . 0.0 109.335 169.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.95 -58.17 9.3 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.764 0.826 . . . . 0.0 111.276 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.52 -45.69 63.0 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.78 0.832 . . . . 0.0 111.841 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.88 -59.48 5.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.934 0.894 . . . . 0.0 111.359 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -61.55 -40.48 94.86 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 117.948 0.34 . . . . 0.0 111.191 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.39 -39.94 92.52 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.585 0.754 . . . . 0.0 110.707 175.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.94 -50.94 61.34 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -63.79 -39.23 93.74 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.451 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.99 -47.87 82.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 118.954 0.797 . . . . 0.0 110.143 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -47.26 80.43 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.53 0.732 . . . . 0.0 110.766 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m -59.4 -40.19 85.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.499 0.72 . . . . 0.0 111.305 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.53 -53.8 46.23 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.604 1.162 . . . . 0.0 109.298 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.08 -44.32 74.75 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.674 1.19 . . . . 0.0 111.202 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.99 -47.08 66.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.196 0.998 . . . . 0.0 111.177 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -122.28 76.2 42.73 Favored Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 125.035 1.334 . . . . 0.0 109.708 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.88 -32.78 44.81 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.007 2.471 . . . . 0.0 111.185 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.1 p -54.8 -36.48 64.98 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.061 0.944 . . . . 0.0 111.568 171.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -96.14 20.12 10.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.023 0.929 . . . . 0.0 112.384 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.5 p -53.85 -36.56 62.71 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.77 0.714 . . . . 0.0 112.439 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.82 88.84 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.918 0.887 . . . . 0.0 111.398 177.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -64.42 -47.3 79.65 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 123.178 0.591 . . . . 0.0 109.972 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -56.21 -48.55 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.201 1.0 . . . . 0.0 110.51 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.25 -43.37 92.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.743 0.817 . . . . 0.0 110.443 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.51 -51.36 55.19 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.936 0.779 . . . . 0.0 111.63 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -66.1 -37.1 84.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.563 0.745 . . . . 0.0 111.666 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.44 -47.81 84.01 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.783 0.433 . . . . 0.0 110.609 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -63.91 -39.77 94.93 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.778 0.831 . . . . 0.0 111.015 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.22 -49.54 75.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.007 0.923 . . . . 0.0 110.493 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 tp -65.8 -40.97 92.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.06 0.544 . . . . 0.0 110.307 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -57.47 -48.89 77.99 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.895 0.878 . . . . 0.0 110.825 174.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.11 -47.39 84.82 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.139 0.976 . . . . 0.0 111.028 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.3 p -59.95 -35.22 74.48 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.832 0.453 . . . . 0.0 111.615 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 . . . . . 0 CA--C 1.536 0.42 0 C-N-CA 124.01 0.924 . . . . 0.0 112.369 179.426 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 119.543 -0.265 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -53.45 -51.57 62.26 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.004 0.922 . . . . 0.0 110.949 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -54.49 -55.13 32.11 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.884 1.274 . . . . 0.0 110.751 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -57.84 -45.57 86.04 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.383 0.673 . . . . 0.0 112.147 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.11 -45.96 77.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.873 0.869 . . . . 0.0 110.559 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.1 -37.7 88.25 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.572 0.349 . . . . 0.0 111.464 174.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -69.11 -24.56 64.14 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.127 -0.94 . . . . 0.0 113.222 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.0 mmt -52.95 115.91 8.23 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 119.198 0.908 . . . . 0.0 110.831 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.99 -29.95 7.71 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.628 2.218 . . . . 0.0 113.124 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -89.42 -20.68 23.65 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -169.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.92 158.45 32.68 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.652 0.66 . . . . 0.0 110.932 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -101.99 177.12 4.98 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.684 0.794 . . . . 0.0 109.27 169.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.17 -55.8 28.71 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.954 0.902 . . . . 0.0 111.518 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -53.97 -45.71 71.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.621 0.768 . . . . 0.0 111.687 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.33 -58.28 8.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.815 0.846 . . . . 0.0 111.26 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -61.78 -40.85 96.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 117.878 0.308 . . . . 0.0 111.289 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.15 -43.01 96.08 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.52 0.728 . . . . 0.0 110.504 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.45 -50.68 55.88 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -65.63 -37.94 87.98 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 119.023 -0.513 . . . . 0.0 111.877 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mt -58.0 -49.91 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 118.907 0.776 . . . . 0.0 110.106 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -60.0 -44.24 94.66 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.763 177.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 t -57.14 -41.39 79.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.055 0.542 . . . . 0.0 111.32 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.3 -55.0 38.98 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.35 1.06 . . . . 0.0 109.544 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -57.4 -43.5 83.77 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.467 1.107 . . . . 0.0 111.539 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.41 -46.24 64.35 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.948 0.899 . . . . 0.0 111.03 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -127.55 72.28 77.76 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.595 1.158 . . . . 0.0 110.14 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -71.25 -18.46 30.28 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.41 2.74 . . . . 0.0 111.815 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.6 p -49.52 -41.36 40.79 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.72 1.208 . . . . 0.0 111.544 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -114.25 43.63 1.84 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.146 0.978 . . . . 0.0 110.595 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.1 t -54.82 -40.34 69.44 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.296 0.638 . . . . 0.0 111.117 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.63 -43.68 85.0 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.012 0.925 . . . . 0.0 111.534 175.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -63.8 -48.3 77.43 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 122.704 0.402 . . . . 0.0 110.097 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -54.24 -44.32 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.997 0.919 . . . . 0.0 110.831 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.31 -53.85 53.47 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.716 0.806 . . . . 0.0 109.49 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.33 -56.36 19.91 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.54 1.067 . . . . 0.0 112.653 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.45 -32.8 74.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.62 0.768 . . . . 0.0 111.999 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.41 92.3 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.192 0.451 . . . . 0.0 110.403 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -39.87 95.84 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.972 0.509 . . . . 0.0 110.213 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.03 -49.39 77.83 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.977 -0.452 . . . . 0.0 110.512 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.95 -43.66 98.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.784 0.434 . . . . 0.0 110.598 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -53.2 -58.11 8.18 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.845 1.258 . . . . 0.0 110.668 174.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -59.93 -48.34 82.1 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.823 1.249 . . . . 0.0 111.713 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.5 p -65.53 -18.96 65.71 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 . . . . . 0 C--N 1.341 0.216 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.425 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.515 0.197 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.09 -50.81 72.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.411 1.085 . . . . 0.0 110.658 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -58.08 -46.61 85.19 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.66 1.184 . . . . 0.0 111.248 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -57.68 -45.81 85.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.783 -0.627 . . . . 0.0 110.835 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.22 -41.13 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 118.64 0.655 . . . . 0.0 111.215 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 99.0 mt -58.55 -44.09 89.55 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.966 0.803 . . . . 0.0 110.62 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -87.11 69.85 10.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.143 0.977 . . . . 0.0 109.969 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.3 mmt -124.34 92.86 47.51 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 125.087 1.355 . . . . 0.0 109.043 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.38 -34.6 71.81 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 124.854 3.703 . . . . 0.0 115.557 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.57 -36.61 16.24 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.194 0.452 . . . . 0.0 110.223 -170.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.93 166.32 7.58 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.205 0.526 . . . . 0.0 110.77 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -108.04 -176.47 3.07 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.585 1.154 . . . . 0.0 108.961 169.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -56.14 25.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.689 0.796 . . . . 0.0 111.243 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.63 -46.89 70.64 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.306 0.643 . . . . 0.0 111.645 -177.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -61.52 -58.52 7.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.415 0.686 . . . . 0.0 111.577 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -62.29 -40.14 95.28 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -63.64 -35.75 81.55 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.83 0.452 . . . . 0.0 110.82 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.39 -49.36 79.45 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.911 0.767 . . . . 0.0 111.368 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -58.09 -45.53 87.03 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.277 0.631 . . . . 0.0 110.961 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mt -55.1 -44.67 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 123.189 0.596 . . . . 0.0 110.952 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -49.76 73.93 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.794 0.837 . . . . 0.0 110.86 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -54.75 -42.9 72.21 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.225 0.61 . . . . 0.0 110.929 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -46.09 90.03 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.031 0.533 . . . . 0.0 110.593 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.05 -42.47 94.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.89 0.876 . . . . 0.0 111.27 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -56.68 -40.26 75.24 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.246 0.618 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -145.96 97.38 4.53 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -47.41 -34.93 20.29 Favored 'Trans proline' 0 C--N 1.348 0.531 1 C-N-CA 125.566 4.177 . . . . 0.0 115.266 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -64.87 -8.49 15.57 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -88.86 37.38 0.84 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.902 0.774 . . . . 0.0 110.43 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -65.59 -58.37 5.92 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.752 -0.593 . . . . 0.0 109.805 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.15 96.87 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.246 1.018 . . . . 0.0 111.633 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -59.32 -58.87 6.71 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.924 0.89 . . . . 0.0 110.413 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.73 -44.04 80.69 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.643 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.35 -46.91 69.71 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.566 0.621 . . . . 0.0 111.208 174.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.99 -62.56 5.83 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.916 0.769 . . . . 0.0 111.544 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.57 -41.72 96.1 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.057 0.429 . . . . 0.0 111.822 -176.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.56 -51.64 67.74 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.407 0.683 . . . . 0.0 111.25 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -66.06 -40.13 90.67 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.96 0.504 . . . . 0.0 110.978 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -50.86 71.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.879 0.472 . . . . 0.0 110.23 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.92 -51.0 71.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.106 0.562 . . . . 0.0 109.933 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -50.17 -60.39 3.01 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.266 1.027 . . . . 0.0 110.269 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.31 -52.55 61.16 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.781 0.832 . . . . 0.0 111.327 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -64.18 -6.22 6.27 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -173.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 . . . . . 0 CA--C 1.533 0.308 0 CA-C-N 119.025 0.829 . . . . 0.0 109.975 178.147 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.254 0 CA-C-O 119.893 -0.099 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.66 -51.68 66.42 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.7 1.2 . . . . 0.0 110.717 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -58.39 -49.18 78.18 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.64 0.776 . . . . 0.0 110.915 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -56.74 -49.99 73.59 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 119.204 -0.426 . . . . 0.0 111.044 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.5 t -53.51 -44.31 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.583 0.753 . . . . 0.0 111.344 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.27 -52.95 59.92 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.298 0.499 . . . . 0.0 110.949 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -81.13 71.33 8.1 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.059 0.944 . . . . 0.0 110.392 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.4 mtt -135.25 93.46 16.76 Favored Pre-proline 0 CA--C 1.532 0.268 0 C-N-CA 125.44 1.496 . . . . 0.0 109.052 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -51.72 -29.6 34.19 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 124.981 3.788 . . . . 0.0 115.424 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.67 -31.13 18.66 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 118.49 0.586 . . . . 0.0 110.34 -172.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 mt -68.5 144.2 54.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.177 0.444 . . . . 0.0 110.556 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -89.56 172.49 8.93 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 169.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.28 -53.62 51.28 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.823 0.849 . . . . 0.0 111.745 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.74 -49.32 68.42 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.574 0.75 . . . . 0.0 111.486 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -58.86 -58.96 6.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.68 0.792 . . . . 0.0 111.52 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -63.92 -46.65 83.84 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.709 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -61.93 -36.31 80.99 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.163 0.438 . . . . 0.0 110.667 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.67 -53.5 32.39 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 171.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -61.78 -37.22 83.51 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.751 -0.642 . . . . 0.0 112.327 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.42 -48.98 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 119.445 1.02 . . . . 0.0 110.338 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -61.29 -39.87 92.03 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.152 0.433 . . . . 0.0 111.162 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -60.29 -39.53 87.25 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.13 0.423 . . . . 0.0 111.396 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.76 -53.63 51.44 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.1 0.96 . . . . 0.0 109.408 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -54.25 -47.37 72.33 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.773 0.829 . . . . 0.0 111.219 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.39 -45.51 79.78 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.772 0.829 . . . . 0.0 111.496 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -120.29 77.88 26.18 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 125.043 1.337 . . . . 0.0 109.571 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.0 -36.44 38.17 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.072 2.514 . . . . 0.0 111.176 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 p -54.82 -42.44 71.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.105 0.962 . . . . 0.0 111.318 172.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -89.98 22.56 3.14 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.769 0.827 . . . . 0.0 112.185 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.3 t -57.12 -37.19 71.62 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.24 0.927 . . . . 0.0 111.37 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.44 92.1 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.83 0.852 . . . . 0.0 111.416 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -63.2 -51.68 65.35 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.43 0.692 . . . . 0.0 109.992 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.11 -47.87 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 125.033 1.333 . . . . 0.0 110.729 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.49 -50.37 73.98 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.167 0.587 . . . . 0.0 110.249 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.85 -52.15 40.75 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 123.835 0.731 . . . . 0.0 111.837 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -56.81 -43.56 81.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.263 1.025 . . . . 0.0 110.845 177.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.96 -44.18 90.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.427 0.691 . . . . 0.0 111.974 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.99 -48.33 80.32 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.062 0.945 . . . . 0.0 110.355 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -61.72 -51.59 67.73 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.516 0.726 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.46 -38.03 88.2 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.095 0.558 . . . . 0.0 110.816 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -58.38 -67.04 0.39 Allowed 'General case' 0 C--N 1.341 0.197 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -49.79 -52.6 30.83 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.171 0.989 . . . . 0.0 111.734 -173.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.1 p -55.67 -24.21 32.83 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -176.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.899 -176.809 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -53.01 -51.24 62.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.989 0.916 . . . . 0.0 111.632 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -58.19 -50.36 73.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.045 0.938 . . . . 0.0 111.061 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.22 -45.5 93.08 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.404 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.2 t -55.65 -45.61 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.919 0.888 . . . . 0.0 110.64 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.65 -56.66 18.57 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 173.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -85.75 56.61 4.04 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.373 1.069 . . . . 0.0 109.956 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.2 tpp -115.68 103.42 53.82 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -45.32 -45.13 15.63 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.768 3.645 . . . . 0.0 116.27 -170.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -97.35 13.48 29.5 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -168.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -106.31 129.12 54.39 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 119.051 0.841 . . . . 0.0 110.461 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -89.7 178.54 6.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.005 0.922 . . . . 0.0 108.855 169.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.78 -49.72 14.74 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 125.519 1.528 . . . . 0.0 113.385 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -54.54 -60.15 3.74 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.086 0.554 . . . . 0.0 111.396 -173.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -62.95 -54.75 33.59 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.955 0.502 . . . . 0.0 111.222 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -61.06 -43.38 98.97 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.35 -41.74 98.88 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.293 0.497 . . . . 0.0 110.503 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.63 -50.26 54.36 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.83 -41.29 95.87 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 118.852 -0.594 . . . . 0.0 111.733 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.5 -45.69 85.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.994 0.816 . . . . 0.0 110.265 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -63.0 -41.87 99.7 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.049 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -58.76 -42.24 88.46 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.52 0.6 . . . . 0.0 111.052 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.22 -50.01 75.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.216 1.406 . . . . 0.0 109.475 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -57.96 -44.47 87.03 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.778 1.231 . . . . 0.0 111.077 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -65.67 -43.19 90.09 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.11 0.964 . . . . 0.0 111.072 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -130.26 80.7 70.13 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 124.047 0.939 . . . . 0.0 110.345 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -50.81 -46.01 32.65 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 124.323 3.349 . . . . 0.0 112.285 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.2 p -50.05 -40.78 46.21 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.055 1.342 . . . . 0.0 112.056 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -89.8 18.58 5.46 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.876 0.87 . . . . 0.0 112.694 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 p -49.62 -41.21 41.77 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.97 0.908 . . . . 0.0 112.369 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.75 83.67 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.967 0.907 . . . . 0.0 111.82 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -64.08 -48.25 76.9 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.831 0.452 . . . . 0.0 110.155 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -55.33 -45.02 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 124.506 1.122 . . . . 0.0 110.651 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.38 -49.4 77.95 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.373 0.669 . . . . 0.0 110.078 174.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.58 -48.74 55.0 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 123.747 0.689 . . . . 0.0 112.136 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -60.92 -46.36 91.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.487 1.115 . . . . 0.0 110.797 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.76 95.0 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.317 0.647 . . . . 0.0 111.71 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -68.28 -38.58 81.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.208 0.603 . . . . 0.0 110.875 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -63.46 -46.6 85.46 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.694 0.797 . . . . 0.0 110.318 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -54.18 47.26 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.518 1.127 . . . . 0.0 108.691 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -53.79 -48.11 70.14 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.779 0.832 . . . . 0.0 111.657 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.83 -45.6 93.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.31 1.044 . . . . 0.0 111.202 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -62.7 -37.49 86.67 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.587 -0.244 . . . . 0.0 110.866 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 123.681 0.792 . . . . 0.0 111.46 175.317 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.701 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 73.31 -60.58 0.53 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.536 1.934 . . . . 0.0 111.615 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -149.25 -166.62 2.6 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.242 1.417 . . . . 0.0 108.609 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -73.92 78.27 1.65 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 171.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -90.05 30.9 1.02 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.863 1.265 . . . . 0.0 111.08 176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.53 89.86 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.765 0.826 . . . . 0.0 110.999 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.93 -50.01 75.65 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.335 1.054 . . . . 0.0 110.312 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -59.51 -54.69 43.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.587 1.155 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -60.01 -45.89 91.29 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.641 0.776 . . . . 0.0 110.78 -176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -48.92 79.1 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.113 0.565 . . . . 0.0 110.737 176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -56.44 -49.43 74.59 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.015 0.926 . . . . 0.0 111.477 178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -60.03 -46.2 90.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.537 0.735 . . . . 0.0 111.124 179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.74 -50.09 74.86 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-O 119.106 -0.473 . . . . 0.0 110.844 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.05 -42.2 78.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 123.807 0.843 . . . . 0.0 111.153 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.2 mt -57.87 -52.96 63.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.285 0.493 . . . . 0.0 110.044 173.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -82.29 62.72 6.13 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.819 0.848 . . . . 0.0 110.785 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.8 mmt -114.76 92.7 30.71 Favored Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 106.731 -1.581 . . . . 0.0 106.731 169.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.1 -20.04 25.58 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.283 2.656 . . . . 0.0 113.342 -169.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -89.06 -29.27 19.55 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.317 0.508 . . . . 0.0 110.186 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.6 mt -71.13 147.21 48.63 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 174.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -89.45 163.55 15.21 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 169.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.33 -55.55 8.58 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.673 1.189 . . . . 0.0 112.751 -171.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -50.23 -42.86 52.5 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.761 0.824 . . . . 0.0 112.837 -176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -68.18 -56.18 9.66 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 122.651 0.38 . . . . 0.0 110.858 -177.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -60.69 -39.28 87.9 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -60.58 -43.81 96.91 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.5 0.72 . . . . 0.0 110.29 173.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.84 -50.97 41.85 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -64.38 -36.3 83.71 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.843 -0.598 . . . . 0.0 112.419 178.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.43 -49.14 84.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 119.276 0.944 . . . . 0.0 110.025 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -62.59 -36.82 83.95 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.833 0.288 . . . . 0.0 111.242 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -62.46 -40.17 95.77 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.085 0.402 . . . . 0.0 111.08 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -60.99 -54.89 39.38 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.111 0.965 . . . . 0.0 109.137 176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -53.55 -47.31 70.15 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.037 0.935 . . . . 0.0 111.355 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -66.98 -42.58 84.87 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.901 0.88 . . . . 0.0 111.694 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -122.2 74.39 39.77 Favored Pre-proline 0 CA--C 1.533 0.309 0 C-N-CA 125.168 1.387 . . . . 0.0 109.42 -174.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.15 -37.52 31.84 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.27 2.646 . . . . 0.0 111.768 -174.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.6 p -60.69 -28.18 68.42 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.174 0.59 . . . . 0.0 111.872 175.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -98.17 25.35 6.23 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.056 0.942 . . . . 0.0 112.132 -175.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.0 m -55.89 -38.16 69.83 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.701 0.682 . . . . 0.0 111.979 176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.03 88.16 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.664 0.786 . . . . 0.0 111.347 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -63.36 -51.17 67.0 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 123.28 0.632 . . . . 0.0 110.432 178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.23 -46.6 68.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 124.53 1.132 . . . . 0.0 110.703 178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.22 -47.24 86.09 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.98 0.912 . . . . 0.0 110.586 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.61 -51.53 54.22 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.777 0.703 . . . . 0.0 111.642 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -58.77 -47.68 83.86 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.385 1.074 . . . . 0.0 110.837 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.59 -47.29 86.17 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.519 0.728 . . . . 0.0 111.535 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -65.05 -42.36 94.33 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.374 0.67 . . . . 0.0 110.918 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -62.2 -44.53 96.38 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.381 0.672 . . . . 0.0 110.499 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.67 -46.73 81.19 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.65 0.38 . . . . 0.0 110.077 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -55.0 -47.05 75.16 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.22 1.008 . . . . 0.0 110.825 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.64 -50.24 74.32 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.045 0.938 . . . . 0.0 111.049 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.3 p -62.17 -34.46 76.45 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.78 0.432 . . . . 0.0 111.858 -178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -89.49 13.14 14.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.888 0.875 . . . . 0.0 111.933 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.6 140.47 96.49 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 118.99 0.814 . . . . 0.0 110.496 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.794 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 62.9 Cg_endo -69.49 -39.79 6.57 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 123.18 2.587 . . . . 0.0 111.376 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.794 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 29.5 tptp . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.121 -1.419 . . . . 0.0 109.336 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -157.06 145.09 19.29 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.559 1.144 . . . . 0.0 108.16 -179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -62.28 -67.41 0.42 Allowed 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -86.99 74.73 9.66 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 173.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.95 -18.03 65.19 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.562 0.745 . . . . 0.0 112.888 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.82 55.99 2.19 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 124.279 1.032 . . . . 0.0 111.343 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -81.79 -63.09 1.46 Allowed 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -44.2 50.04 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.365 1.866 . . . . 0.0 113.08 -174.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -57.72 -62.15 2.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.602 0.761 . . . . 0.0 110.422 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.48 -42.78 83.31 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.563 0.745 . . . . 0.0 110.992 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -53.65 -54.65 34.72 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.364 1.066 . . . . 0.0 111.006 178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -61.84 -50.93 70.3 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 122.924 0.49 . . . . 0.0 110.788 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -55.18 -49.07 72.81 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.505 0.722 . . . . 0.0 112.041 -175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.23 -41.09 91.32 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 122.954 0.501 . . . . 0.0 111.975 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.92 -41.07 99.34 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 118.442 0.564 . . . . 0.0 110.243 173.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -83.32 58.49 4.52 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.475 1.11 . . . . 0.0 110.399 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.6 mmt -118.39 133.81 23.48 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 124.938 1.295 . . . . 0.0 108.495 175.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -71.69 -43.76 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 123.046 2.497 . . . . 0.0 112.648 -174.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -89.8 -29.14 18.85 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.966 0.506 . . . . 0.0 112.293 -169.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.8 133.93 53.02 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.462 0.574 . . . . 0.0 110.713 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -89.64 170.07 10.78 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.576 0.751 . . . . 0.0 109.257 169.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.36 -56.47 8.04 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 124.967 1.307 . . . . 0.0 112.649 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -51.1 -45.28 61.45 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.582 0.753 . . . . 0.0 111.846 -176.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.65 -62.53 1.4 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.809 0.844 . . . . 0.0 110.789 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -61.89 -48.25 81.34 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.04 0.536 . . . . 0.0 111.648 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.5 m120 -63.54 -40.6 97.44 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.119 0.568 . . . . 0.0 110.561 178.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.21 -50.45 55.83 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -63.12 -36.05 82.31 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.988 0.394 . . . . 0.0 111.529 176.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.96 -43.66 92.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 118.55 0.614 . . . . 0.0 110.938 173.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -63.17 -37.47 87.35 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.591 0.632 . . . . 0.0 110.954 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 t -61.5 -41.52 97.41 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.192 0.451 . . . . 0.0 110.86 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.62 -54.13 50.02 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.003 0.921 . . . . 0.0 109.777 177.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -56.16 -46.92 79.12 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.589 1.156 . . . . 0.0 110.899 178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -59.15 -49.25 78.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.327 1.051 . . . . 0.0 111.303 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -131.36 91.69 34.32 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 123.864 0.866 . . . . 0.0 109.619 -177.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -46.19 -38.27 19.51 Favored 'Trans proline' 0 N--CA 1.46 -0.478 1 C-N-CA 125.43 4.086 . . . . 0.0 115.444 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.4 p -56.79 -25.73 56.15 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.505 0.722 . . . . 0.0 112.806 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -89.65 36.59 0.85 Allowed 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.982 0.913 . . . . 0.0 111.521 -173.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.7 p -69.4 -54.0 16.59 Favored 'General case' 0 C--N 1.339 0.144 0 CA-C-N 118.695 0.679 . . . . 0.0 110.078 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.31 -41.7 85.1 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.353 1.061 . . . . 0.0 111.023 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -60.79 -53.05 62.07 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.697 0.799 . . . . 0.0 110.544 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 t -54.45 -49.61 64.01 Favored 'Isoleucine or valine' 0 C--N 1.34 0.182 0 C-N-CA 124.702 1.201 . . . . 0.0 111.016 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.6 -50.26 73.72 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.964 0.906 . . . . 0.0 110.05 178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.74 -59.5 10.71 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 124.548 1.07 . . . . 0.0 112.4 -178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.2 -37.94 87.24 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 117.439 0.619 . . . . 0.0 111.506 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.02 -51.89 67.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.247 0.619 . . . . 0.0 110.932 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -62.17 -40.32 95.63 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.915 0.486 . . . . 0.0 110.924 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.82 -49.01 78.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.663 0.785 . . . . 0.0 110.543 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.75 -42.88 97.77 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.212 0.605 . . . . 0.0 110.372 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.06 -52.56 64.8 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.077 0.951 . . . . 0.0 110.205 176.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.48 -48.42 80.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.538 1.135 . . . . 0.0 111.246 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.1 p -60.55 -34.97 74.91 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.05 0.54 . . . . 0.0 111.433 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -88.89 57.92 4.36 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.08 144.1 99.0 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 123.16 0.584 . . . . 0.0 110.165 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.806 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 69.4 Cg_endo -70.18 -39.63 5.49 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.141 2.561 . . . . 0.0 111.371 -178.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.806 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 58.9 tptt . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.285 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -66.1 -53.61 35.91 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -82.89 54.92 2.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.021 0.928 . . . . 0.0 109.523 177.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 t70 51.95 -143.27 0.68 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.269 1.427 . . . . 0.0 111.102 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -88.64 -11.25 45.9 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.629 1.172 . . . . 0.0 111.909 174.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.33 -34.72 70.92 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.171 0.441 . . . . 0.0 109.814 169.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -49.89 -58.48 5.33 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.63 1.572 . . . . 0.0 111.314 172.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -67.25 -48.2 68.45 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.375 1.07 . . . . 0.0 110.419 -176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -55.43 -47.98 75.14 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.714 0.806 . . . . 0.0 111.0 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.69 -50.74 72.17 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.805 0.842 . . . . 0.0 110.884 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -54.19 -49.43 69.36 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.541 0.736 . . . . 0.0 111.268 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -60.87 -47.47 86.22 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.414 0.685 . . . . 0.0 111.32 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -57.93 -50.81 72.07 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.748 0.419 . . . . 0.0 110.835 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.32 -42.19 83.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 123.223 0.609 . . . . 0.0 111.153 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.1 mt -58.52 -40.7 83.62 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.247 0.476 . . . . 0.0 111.356 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -71.03 -68.35 0.44 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.246 -177.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.3 mtt -5.56 85.37 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.532 0 C-N-CA 129.069 2.948 . . . . 0.0 114.275 -175.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 99.8 Cg_exo -52.76 -28.39 38.03 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 124.848 3.699 . . . . 0.0 116.155 -170.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.0 m-20 -88.71 -16.77 31.43 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 118.518 0.599 . . . . 0.0 111.723 -170.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.6 mt -71.74 154.85 41.05 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 118.505 0.593 . . . . 0.0 110.078 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -96.4 177.22 5.77 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 168.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.04 -56.82 16.75 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.504 0.722 . . . . 0.0 111.32 -177.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -52.67 -46.44 67.2 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.756 0.823 . . . . 0.0 111.644 -178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.47 -59.52 5.26 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.828 0.851 . . . . 0.0 111.173 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -62.54 -41.92 99.2 Favored 'General case' 0 C--N 1.341 0.206 0 CA-C-N 117.998 0.363 . . . . 0.0 111.578 -174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -62.03 -41.15 97.8 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.034 0.534 . . . . 0.0 110.681 175.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.09 -50.73 58.02 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 174.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -65.06 -36.91 85.84 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.993 -0.527 . . . . 0.0 111.867 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.3 mt -60.6 -45.41 97.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 119.11 0.868 . . . . 0.0 110.231 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -62.69 -39.04 92.71 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.097 0.408 . . . . 0.0 111.0 176.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.9 m -61.9 -42.38 99.01 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.844 0.458 . . . . 0.0 111.011 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 tt -61.53 -54.82 38.1 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.742 1.217 . . . . 0.0 109.255 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.68 -45.37 73.91 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.38 1.472 . . . . 0.0 111.233 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.95 -45.58 67.13 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.621 0.768 . . . . 0.0 111.263 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -120.4 76.02 25.03 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 125.038 1.335 . . . . 0.0 109.54 -176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -65.36 -36.73 33.95 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.99 2.46 . . . . 0.0 111.36 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.5 p -55.85 -30.03 60.82 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.847 0.859 . . . . 0.0 112.176 172.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -96.91 15.61 21.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.256 1.023 . . . . 0.0 111.9 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.0 t -55.41 -35.43 65.35 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 119.139 0.881 . . . . 0.0 112.446 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.19 -44.29 95.78 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.572 0.749 . . . . 0.0 111.258 175.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -65.13 -47.01 78.62 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.138 0.575 . . . . 0.0 110.254 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.4 t -55.51 -48.33 77.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 124.594 1.158 . . . . 0.0 110.441 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 tp -55.7 -47.43 76.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.591 0.756 . . . . 0.0 110.329 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.67 -60.33 8.83 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 124.075 0.845 . . . . 0.0 112.247 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -64.42 -35.38 80.71 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 117.282 0.541 . . . . 0.0 112.092 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.0 -47.16 81.39 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.839 0.456 . . . . 0.0 110.651 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -63.17 -39.11 93.71 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.533 0.733 . . . . 0.0 110.618 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -61.12 -46.51 90.28 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.174 0.59 . . . . 0.0 110.413 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.74 -44.12 91.16 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.469 0.308 . . . . 0.0 110.692 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -54.41 -54.46 40.34 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.894 0.877 . . . . 0.0 110.096 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -58.34 -48.63 79.95 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.495 1.118 . . . . 0.0 111.528 -177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.4 p -60.52 -31.84 70.9 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.61 0.764 . . . . 0.0 111.861 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -88.76 57.36 4.13 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.33 123.28 86.13 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 123.767 0.827 . . . . 0.0 109.619 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.74 -45.02 37.76 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.852 3.035 . . . . 0.0 113.083 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 tptt . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.227 -1.368 . . . . 0.0 109.196 178.824 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -104.71 -71.89 0.72 Allowed 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.918 0.887 . . . . 0.0 110.289 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.3 m170 60.4 -77.41 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.783 1.633 . . . . 0.0 113.369 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -140.16 173.82 11.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.535 1.934 . . . . 0.0 109.179 -175.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -53.71 -45.03 70.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.034 0.934 . . . . 0.0 113.388 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.49 -53.42 52.3 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.142 0.577 . . . . 0.0 110.986 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -56.54 -46.91 80.41 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.637 1.175 . . . . 0.0 110.454 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -53.85 -61.03 2.57 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.908 0.883 . . . . 0.0 111.193 177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -55.73 -53.95 50.32 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 123.183 0.593 . . . . 0.0 110.73 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.06 80.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.984 0.514 . . . . 0.0 111.618 -179.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -56.36 -52.06 65.98 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.164 0.986 . . . . 0.0 111.111 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -58.18 -45.83 86.85 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.128 0.571 . . . . 0.0 110.654 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -59.15 -49.05 79.35 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.263 0.625 . . . . 0.0 111.343 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.0 t -57.05 -40.17 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 123.296 0.638 . . . . 0.0 111.278 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.67 -41.24 96.22 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.365 0.529 . . . . 0.0 111.214 173.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -67.19 -36.85 82.61 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.57 0.748 . . . . 0.0 112.552 -176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.9 mtt -50.05 113.21 3.25 Favored Pre-proline 0 CA--C 1.535 0.367 0 C-N-CA 124.62 1.168 . . . . 0.0 110.979 -178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -79.83 -26.15 4.76 Favored 'Trans proline' 0 N--CA 1.457 -0.659 0 C-N-CA 122.95 2.433 . . . . 0.0 113.76 -169.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -88.96 -13.25 39.39 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 118.722 0.692 . . . . 0.0 112.561 -169.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.7 mt -69.19 147.27 51.55 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 118.469 0.577 . . . . 0.0 109.772 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -89.92 175.29 7.26 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.56 -54.77 41.98 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.606 0.763 . . . . 0.0 111.37 -177.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.83 -45.7 74.49 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.884 0.874 . . . . 0.0 111.449 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -60.76 -60.83 3.17 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.187 0.995 . . . . 0.0 111.104 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -60.34 -42.88 96.58 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 119.256 -0.402 . . . . 0.0 110.947 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -59.92 -44.25 94.42 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.537 0.735 . . . . 0.0 110.854 177.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.18 -52.8 44.72 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 176.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -58.68 -51.51 69.62 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.19 0.596 . . . . 0.0 111.246 178.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.6 mt -50.44 -54.72 8.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 124.942 1.297 . . . . 0.0 110.798 178.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -64.02 -44.53 92.29 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.133 0.573 . . . . 0.0 111.346 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.3 t -54.31 -45.33 72.57 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.97 0.508 . . . . 0.0 110.58 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -46.27 82.84 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.073 0.949 . . . . 0.0 110.848 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -56.33 -44.77 80.33 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.067 0.947 . . . . 0.0 110.526 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -65.51 -45.78 82.21 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.732 0.813 . . . . 0.0 110.799 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -120.46 78.12 27.72 Favored Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 124.796 1.238 . . . . 0.0 109.763 -174.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -62.89 -25.81 74.37 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.539 2.826 . . . . 0.0 112.61 -175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.2 p -54.07 -31.64 52.31 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.867 0.867 . . . . 0.0 112.3 173.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -89.55 39.49 0.95 Allowed 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.924 0.89 . . . . 0.0 111.417 -173.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.0 m -63.09 -60.27 3.66 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 122.837 0.455 . . . . 0.0 110.389 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.55 89.89 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.794 0.838 . . . . 0.0 111.605 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -62.2 -58.98 5.76 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.752 0.821 . . . . 0.0 110.528 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.0 t -58.6 -42.04 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 123.277 0.631 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.28 -49.87 73.01 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.316 0.647 . . . . 0.0 109.798 176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.85 -57.12 20.46 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.039 0.828 . . . . 0.0 111.64 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -53.57 -49.09 68.47 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.306 1.042 . . . . 0.0 111.23 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.36 97.18 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.937 0.895 . . . . 0.0 111.443 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.24 -39.83 93.24 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 122.609 0.364 . . . . 0.0 110.931 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -61.75 -45.66 92.94 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.142 0.428 . . . . 0.0 110.323 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 tp -64.5 -43.04 95.36 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 122.654 0.382 . . . . 0.0 110.799 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -59.53 -49.85 76.2 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.494 1.117 . . . . 0.0 110.74 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.39 -49.44 76.91 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.632 1.173 . . . . 0.0 111.139 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.0 p -61.26 -31.31 71.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.0 0.52 . . . . 0.0 111.98 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -89.38 6.9 38.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.614 0.766 . . . . 0.0 112.243 177.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.87 141.43 92.36 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 119.231 0.923 . . . . 0.0 110.397 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -68.31 -38.29 12.12 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 123.14 2.56 . . . . 0.0 111.166 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt . . . . . 0 C--O 1.251 1.173 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.085 178.407 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 63.02 -92.57 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.788 1.635 . . . . 0.0 109.651 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -83.83 66.15 8.95 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.014 1.325 . . . . 0.0 108.454 171.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.2 t70 68.36 160.23 0.17 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.687 1.995 . . . . 0.0 113.133 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.21 -5.94 8.21 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.031 0.932 . . . . 0.0 112.448 172.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.65 -36.36 15.76 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.298 1.039 . . . . 0.0 111.293 169.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -56.42 -66.01 0.51 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.638 1.175 . . . . 0.0 111.505 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -63.87 -37.47 87.5 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.846 0.458 . . . . 0.0 111.407 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -59.84 -51.15 70.96 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.433 1.093 . . . . 0.0 110.771 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.8 -53.8 54.1 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.533 0.733 . . . . 0.0 110.277 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -53.64 -49.67 67.39 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.62 0.768 . . . . 0.0 111.248 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.45 -53.34 59.22 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.978 0.911 . . . . 0.0 111.119 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.75 -43.75 98.23 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 119.087 -0.482 . . . . 0.0 111.706 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.1 t -54.77 -40.2 50.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 118.561 0.619 . . . . 0.0 111.061 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.73 -53.85 29.06 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.113 0.415 . . . . 0.0 110.234 172.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -83.36 64.72 7.96 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.631 1.172 . . . . 0.0 110.81 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.7 mtt -139.19 89.77 12.21 Favored Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 125.094 1.358 . . . . 0.0 108.834 178.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.33 -28.31 42.74 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 124.924 3.749 . . . . 0.0 115.948 -175.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -88.59 -20.62 24.76 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 118.771 0.714 . . . . 0.0 111.36 -169.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 86.7 mt -71.24 171.72 10.57 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 170.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -119.37 175.96 5.57 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.53 1.132 . . . . 0.0 109.29 170.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.52 -55.94 21.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.341 1.056 . . . . 0.0 111.466 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -55.14 -47.06 75.61 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.695 0.798 . . . . 0.0 111.426 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -64.21 -55.71 19.74 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.877 0.871 . . . . 0.0 111.475 -178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -62.82 -40.93 98.92 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 117.848 0.295 . . . . 0.0 111.138 -176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.1 -43.08 99.43 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.365 0.666 . . . . 0.0 110.339 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.99 -49.44 58.92 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -64.12 -39.92 95.07 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.659 -0.686 . . . . 0.0 111.903 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -58.82 -45.0 91.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 119.297 0.953 . . . . 0.0 110.37 175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -64.04 -40.65 96.76 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 119.251 -0.404 . . . . 0.0 111.057 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -58.62 -41.68 86.45 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.462 0.574 . . . . 0.0 110.624 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.36 -46.43 90.23 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.828 1.251 . . . . 0.0 110.058 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.23 -42.56 95.49 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.418 1.087 . . . . 0.0 110.735 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.45 -39.73 92.39 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.909 0.884 . . . . 0.0 111.173 178.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -131.58 77.61 72.81 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 123.917 0.887 . . . . 0.0 110.728 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.45 -41.43 76.95 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 124.427 3.418 . . . . 0.0 113.325 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 85.2 p -62.06 -35.74 79.54 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.739 0.816 . . . . 0.0 112.043 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -89.8 39.22 0.95 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.619 0.768 . . . . 0.0 110.897 -176.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -61.8 -44.65 96.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.335 1.054 . . . . 0.0 110.595 177.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.0 82.3 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.443 1.097 . . . . 0.0 111.775 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -64.71 -51.88 60.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.937 0.495 . . . . 0.0 110.359 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.09 -45.09 76.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.92 0.888 . . . . 0.0 110.538 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.61 -45.66 91.29 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.626 0.77 . . . . 0.0 110.165 176.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.83 -50.93 52.41 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.818 0.723 . . . . 0.0 111.845 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.94 -44.61 94.26 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.159 0.583 . . . . 0.0 110.958 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.77 99.59 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.61 0.764 . . . . 0.0 111.91 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -58.11 -50.31 73.92 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.267 1.027 . . . . 0.0 110.115 174.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -59.05 -48.24 82.32 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.111 0.564 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.6 tp -65.36 -47.34 76.75 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.391 0.276 . . . . 0.0 110.714 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -57.82 -47.61 82.13 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.297 1.039 . . . . 0.0 111.034 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.98 -50.77 69.45 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.292 1.037 . . . . 0.0 111.135 -178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.7 p -60.05 -34.37 73.31 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 122.993 0.517 . . . . 0.0 111.705 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -89.57 11.73 18.74 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.7 0.8 . . . . 0.0 112.353 178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.65 141.3 92.71 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 119.103 0.865 . . . . 0.0 110.484 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -68.47 -38.97 10.27 Favored 'Trans proline' 0 N--CA 1.455 -0.746 0 C-N-CA 123.162 2.575 . . . . 0.0 111.162 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.2 pttm . . . . . 0 C--O 1.25 1.108 0 CA-C-O 116.95 -1.5 . . . . 0.0 110.018 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -79.56 64.35 4.41 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.248 1.019 . . . . 0.0 110.16 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -56.82 -44.03 81.6 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.049 1.34 . . . . 0.0 110.386 174.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -78.45 77.85 4.93 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 172.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.61 -18.91 61.37 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.694 0.798 . . . . 0.0 112.416 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.55 -39.14 61.15 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.004 0.922 . . . . 0.0 111.515 171.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -55.19 -56.17 22.96 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 124.201 1.0 . . . . 0.0 110.464 175.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -59.09 -52.66 64.78 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.092 0.957 . . . . 0.0 110.389 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -53.06 -56.55 15.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.008 0.923 . . . . 0.0 110.873 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.8 -46.21 81.73 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.804 0.842 . . . . 0.0 111.373 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -56.99 -50.45 72.67 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.367 0.667 . . . . 0.0 111.297 177.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -60.95 -44.62 97.02 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.272 0.629 . . . . 0.0 111.259 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -61.24 -47.22 87.04 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.95 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.0 -39.86 79.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 C-N-CA 123.664 0.786 . . . . 0.0 111.241 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.04 -50.98 71.6 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.555 0.616 . . . . 0.0 110.125 172.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -81.6 68.81 8.09 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.856 0.862 . . . . 0.0 110.602 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.5 mmt -122.94 93.51 48.28 Favored Pre-proline 0 CA--C 1.533 0.317 0 C-N-CA 125.411 1.484 . . . . 0.0 108.431 175.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -50.71 -38.08 55.4 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 124.604 3.536 . . . . 0.0 114.997 -176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -89.38 -30.37 18.43 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-O 119.268 -0.396 . . . . 0.0 111.714 -170.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 mt -65.91 145.45 55.9 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.31 0.505 . . . . 0.0 111.038 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -89.27 170.73 10.33 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 169.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.9 -52.83 56.16 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.897 0.879 . . . . 0.0 111.656 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -53.58 -48.08 69.53 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.681 0.792 . . . . 0.0 111.351 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -61.43 -57.93 10.25 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.847 0.859 . . . . 0.0 111.646 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -64.5 -40.81 96.35 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -62.37 -39.35 92.88 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 118.22 0.463 . . . . 0.0 110.559 173.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.2 -51.98 43.3 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 173.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -63.88 -39.55 94.46 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 118.725 -0.655 . . . . 0.0 111.964 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.3 mt -57.41 -49.18 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 119.242 0.928 . . . . 0.0 110.242 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 mm100 -64.13 -37.67 88.28 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.936 0.495 . . . . 0.0 111.346 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.2 t -60.76 -44.03 97.24 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.746 0.419 . . . . 0.0 110.609 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -48.33 79.96 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.323 1.049 . . . . 0.0 109.918 178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -57.46 -45.4 84.82 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.855 1.262 . . . . 0.0 110.666 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.58 -45.12 80.31 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.052 0.941 . . . . 0.0 111.138 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -118.58 77.01 13.8 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 125.111 1.364 . . . . 0.0 109.704 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -64.45 -29.84 62.24 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.004 2.469 . . . . 0.0 111.617 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.6 p -59.64 -34.59 73.0 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.084 0.954 . . . . 0.0 111.615 173.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -89.72 41.39 1.04 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.019 0.927 . . . . 0.0 110.746 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.6 t -63.97 -56.54 14.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.114 0.566 . . . . 0.0 110.52 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.68 94.04 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.119 0.968 . . . . 0.0 111.544 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -62.09 -53.53 54.11 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.737 0.815 . . . . 0.0 110.75 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.0 t -58.45 -45.36 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 123.785 0.834 . . . . 0.0 110.452 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.16 -46.32 75.75 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.158 0.583 . . . . 0.0 110.718 174.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.09 -62.32 6.46 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 124.152 0.882 . . . . 0.0 111.611 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.68 -34.23 74.02 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 117.331 0.566 . . . . 0.0 112.199 -178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.52 -47.43 83.97 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 122.725 0.41 . . . . 0.0 110.847 175.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.0 tp-100 -64.69 -37.16 86.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.574 0.35 . . . . 0.0 111.179 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.7 -49.1 77.82 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.359 0.527 . . . . 0.0 110.531 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.36 -39.2 93.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 117.84 0.291 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -58.8 -62.28 1.99 Allowed 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.111 0.964 . . . . 0.0 109.934 174.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -53.36 -50.08 65.81 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.417 1.487 . . . . 0.0 112.103 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.0 p -58.56 -32.9 69.34 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.762 0.825 . . . . 0.0 112.241 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -88.89 58.19 4.48 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.91 132.59 94.75 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 123.209 0.603 . . . . 0.0 109.681 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -82.01 -159.68 0.11 Allowed 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.773 2.982 . . . . 0.0 109.513 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.18 0 C-N-CA 124.699 1.2 . . . . 0.0 110.937 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -132.36 159.66 38.57 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 125.207 1.403 . . . . 0.0 109.108 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.1 m80 73.75 -65.63 0.34 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.36 1.864 . . . . 0.0 110.6 -179.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 53.22 53.03 12.48 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.478 1.511 . . . . 0.0 111.587 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -90.45 37.53 0.91 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.67 1.188 . . . . 0.0 110.498 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.3 -46.26 91.02 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.552 1.141 . . . . 0.0 111.066 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -54.8 -53.86 49.7 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.674 1.189 . . . . 0.0 110.699 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -56.93 -56.82 16.7 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.772 0.829 . . . . 0.0 110.661 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -54.2 -52.73 60.3 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.901 0.88 . . . . 0.0 111.232 -177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.15 -49.73 75.02 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.027 0.931 . . . . 0.0 111.228 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -57.31 -50.85 71.63 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.507 0.723 . . . . 0.0 111.22 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -60.11 -48.13 82.99 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.414 0.685 . . . . 0.0 110.706 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -54.01 -51.13 64.95 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.574 0.749 . . . . 0.0 111.12 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.7 t -57.45 -43.76 83.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.288 0.494 . . . . 0.0 111.104 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.85 -41.1 99.22 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.164 0.438 . . . . 0.0 111.926 177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -77.87 -37.13 48.86 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.462 0.705 . . . . 0.0 112.82 -174.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.4 mtm -57.12 117.74 19.83 Favored Pre-proline 0 CA--C 1.536 0.434 0 C-N-CA 123.58 0.752 . . . . 0.0 111.279 -171.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -75.92 -30.33 6.01 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.704 2.936 . . . . 0.0 113.909 -168.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -89.36 37.77 0.87 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.862 0.756 . . . . 0.0 110.646 -171.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.4 mt -122.86 141.17 52.17 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.884 1.674 . . . . 0.0 106.67 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -89.57 176.27 6.95 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 170.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.33 -55.35 32.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.395 0.678 . . . . 0.0 111.251 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -54.97 -43.2 73.29 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.398 0.679 . . . . 0.0 111.552 -179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -62.01 -61.27 2.6 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.156 0.582 . . . . 0.0 111.029 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -61.68 -44.23 97.34 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 117.989 0.358 . . . . 0.0 111.708 -173.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -62.85 -44.01 97.28 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 122.531 0.332 . . . . 0.0 110.436 175.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.68 -51.16 45.93 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -59.23 -46.7 87.77 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.676 0.791 . . . . 0.0 111.337 177.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 71.2 mt -56.72 -45.59 82.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.026 0.53 . . . . 0.0 110.627 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.87 -48.39 82.03 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.928 0.891 . . . . 0.0 111.211 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.7 m -55.07 -46.51 75.42 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.159 0.584 . . . . 0.0 111.3 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.69 -51.74 63.73 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.628 0.771 . . . . 0.0 110.039 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.52 -43.39 75.68 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.292 1.437 . . . . 0.0 111.02 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.05 -45.94 91.19 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.582 1.153 . . . . 0.0 111.224 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -133.27 87.99 36.93 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 123.603 0.761 . . . . 0.0 109.593 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -48.96 -31.92 21.7 Favored 'Trans proline' 0 C--N 1.348 0.504 1 C-N-CA 125.434 4.089 . . . . 0.0 115.435 -176.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.9 p -56.08 -24.67 41.45 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.911 0.884 . . . . 0.0 112.782 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -89.1 37.02 0.83 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.097 0.959 . . . . 0.0 110.984 -174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.8 m -64.3 -60.18 3.49 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.222 0.609 . . . . 0.0 109.817 176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.45 -38.61 87.83 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.162 0.985 . . . . 0.0 111.475 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -61.61 -57.78 10.68 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.559 0.743 . . . . 0.0 110.622 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.71 -43.42 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 123.209 0.604 . . . . 0.0 110.546 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.2 tp -55.28 -49.58 71.75 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.99 0.516 . . . . 0.0 110.343 175.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.86 -55.43 29.08 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 123.994 0.806 . . . . 0.0 111.621 178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -54.1 -54.59 37.36 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.305 1.042 . . . . 0.0 110.879 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.41 87.7 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.264 1.025 . . . . 0.0 111.929 -178.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.25 -43.88 73.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.277 0.631 . . . . 0.0 111.076 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -60.51 -44.0 96.49 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 122.914 0.486 . . . . 0.0 110.124 174.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 tp -61.83 -51.53 67.88 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.504 0.322 . . . . 0.0 110.456 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -54.62 -49.85 69.51 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.33 1.052 . . . . 0.0 110.85 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.29 -49.55 77.17 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.518 1.127 . . . . 0.0 111.212 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.9 p -64.14 -35.92 82.37 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.037 0.535 . . . . 0.0 111.823 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -89.01 50.91 2.04 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.479 0.711 . . . . 0.0 109.975 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.88 78.84 16.48 Favored Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 124.762 1.225 . . . . 0.0 109.269 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.93 -61.56 0.06 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.808 2.338 . . . . 0.0 111.785 -174.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mptt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 116.617 -1.659 . . . . 0.0 110.359 -177.85 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.514 -0.279 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.6 tm0? 69.98 -70.6 0.14 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.42 1.888 . . . . 0.0 111.988 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -84.63 68.1 10.24 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.808 1.243 . . . . 0.0 109.336 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -147.63 57.29 1.11 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.06 1.344 . . . . 0.0 108.446 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.95 -47.35 80.88 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.535 1.134 . . . . 0.0 112.101 -171.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.43 73.62 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.168 0.587 . . . . 0.0 111.208 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -61.18 -57.29 13.07 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.539 1.136 . . . . 0.0 111.192 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -61.47 -44.4 97.16 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 119.517 -0.277 . . . . 0.0 110.815 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -59.66 -55.83 29.52 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.262 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.01 -49.34 41.46 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.461 0.704 . . . . 0.0 111.043 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -54.98 -51.07 67.35 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.578 0.751 . . . . 0.0 111.485 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -58.66 -52.84 63.99 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 122.803 0.441 . . . . 0.0 111.206 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -60.93 -43.26 98.9 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 119.063 -0.494 . . . . 0.0 111.593 -175.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.8 t -52.33 -41.87 36.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 118.389 0.541 . . . . 0.0 110.832 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.3 mt -69.31 -43.34 73.96 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.021 0.373 . . . . 0.0 111.576 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -61.49 -43.86 98.11 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.118 0.967 . . . . 0.0 112.901 -174.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.3 mtt -45.69 110.62 1.18 Allowed Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 125.823 1.649 . . . . 0.0 112.171 -174.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -46.98 -42.39 25.51 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 125.058 3.839 . . . . 0.0 115.892 -174.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -89.08 -2.35 58.51 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -170.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.4 mt -90.51 114.57 26.79 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -88.77 -176.19 5.15 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.96 -55.89 10.51 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.734 0.814 . . . . 0.0 111.647 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -50.63 -51.46 48.61 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.604 0.762 . . . . 0.0 111.492 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -64.45 -63.28 1.17 Allowed 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.264 0.626 . . . . 0.0 111.325 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -60.52 -43.35 97.21 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.262 0.625 . . . . 0.0 112.139 -172.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -64.54 -36.45 84.27 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.234 0.47 . . . . 0.0 110.741 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.89 -52.67 51.53 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 174.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -59.79 -43.54 94.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.475 0.71 . . . . 0.0 111.091 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.1 mt -57.63 -41.8 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 123.807 0.843 . . . . 0.0 110.603 174.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -50.28 74.45 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.6 0.76 . . . . 0.0 109.986 176.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.2 m -56.07 -45.36 79.33 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 122.832 0.453 . . . . 0.0 111.011 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.43 -42.35 96.05 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.013 0.925 . . . . 0.0 110.92 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -61.24 -46.1 91.82 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.938 0.895 . . . . 0.0 110.088 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -64.48 -37.45 87.6 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.746 0.819 . . . . 0.0 111.201 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -129.81 82.35 67.03 Favored Pre-proline 0 CA--C 1.532 0.287 0 C-N-CA 123.917 0.887 . . . . 0.0 110.393 -179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.95 -37.07 66.55 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 124.329 3.353 . . . . 0.0 112.935 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.2 p -53.57 -33.32 54.35 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.064 1.345 . . . . 0.0 112.569 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -89.35 42.66 1.1 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.999 0.919 . . . . 0.0 110.973 -174.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -64.66 -58.6 5.88 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.105 0.562 . . . . 0.0 109.988 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.07 86.24 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.311 1.044 . . . . 0.0 111.637 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -63.83 -54.25 37.9 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.497 0.719 . . . . 0.0 110.645 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.5 t -57.88 -46.95 87.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.264 0 C-N-CA 123.193 0.597 . . . . 0.0 110.3 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.0 tp -52.76 -47.69 67.31 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.843 0.857 . . . . 0.0 110.608 174.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.65 -60.75 8.43 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.454 1.026 . . . . 0.0 112.104 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -64.08 -36.49 84.2 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.477 0.638 . . . . 0.0 112.109 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.13 -48.81 76.92 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.216 0.607 . . . . 0.0 110.354 177.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -64.18 -38.04 89.62 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 122.756 0.423 . . . . 0.0 110.736 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -44.06 97.74 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.081 0.4 . . . . 0.0 110.461 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 tp -64.18 -47.63 79.06 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.864 0.465 . . . . 0.0 110.575 177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 31.4 t30 -56.49 -48.18 77.69 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.138 0.575 . . . . 0.0 110.572 177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -61.08 -46.99 88.41 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.244 1.418 . . . . 0.0 111.58 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 91.4 p -66.22 -20.58 66.17 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 122.968 0.507 . . . . 0.0 112.2 179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -88.57 -21.48 24.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.928 0.891 . . . . 0.0 110.184 173.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 64.01 93.48 0.06 OUTLIER Pre-proline 0 CA--C 1.534 0.352 0 C-N-CA 126.381 1.872 . . . . 0.0 113.442 169.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.18 -42.65 65.44 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 123.86 3.04 . . . . 0.0 112.839 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.296 -1.335 . . . . 0.0 109.0 178.242 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -80.09 69.95 6.59 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.825 0.85 . . . . 0.0 109.667 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -72.02 103.1 3.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.488 0.715 . . . . 0.0 109.282 178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -79.66 69.91 6.05 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.296 1.038 . . . . 0.0 110.412 -174.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.98 -42.76 85.74 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.566 1.146 . . . . 0.0 112.289 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.43 79.22 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.543 0.737 . . . . 0.0 111.191 -178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -63.04 -49.24 75.37 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.193 0.597 . . . . 0.0 110.073 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -55.22 -55.83 26.83 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 123.755 0.822 . . . . 0.0 110.675 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -52.96 -52.84 56.75 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.79 0.836 . . . . 0.0 110.876 -178.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.1 -55.77 30.43 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.941 0.496 . . . . 0.0 111.523 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -57.01 -51.21 70.17 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.035 0.934 . . . . 0.0 111.528 -177.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -57.04 -49.41 75.89 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 126.261 1.824 . . . . 0.0 111.085 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -67.99 -44.34 76.87 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.936 -0.554 . . . . 0.0 111.647 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.9 t -52.62 -45.76 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 123.595 0.758 . . . . 0.0 110.627 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 75.8 mt -63.01 -51.34 67.18 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.465 0.306 . . . . 0.0 110.638 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -82.75 63.64 6.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.024 0.929 . . . . 0.0 111.139 -173.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 31.8 mtt -138.08 119.7 10.59 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.676 1.59 . . . . 0.0 107.41 175.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.1 -32.75 10.41 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 123.356 2.704 . . . . 0.0 113.515 -169.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -89.2 -15.85 32.72 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.198 0.454 . . . . 0.0 111.859 -170.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.1 mt -74.8 127.88 34.23 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.482 0.583 . . . . 0.0 109.858 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -89.18 168.11 12.56 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 171.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.45 -56.24 5.25 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 124.964 1.306 . . . . 0.0 112.745 -172.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -52.78 -45.32 67.1 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.767 0.827 . . . . 0.0 111.855 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -66.41 -57.78 6.69 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.516 0.726 . . . . 0.0 111.126 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -61.61 -41.26 97.2 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.555 -0.259 . . . . 0.0 111.605 -177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.04 -45.48 92.7 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.323 0.649 . . . . 0.0 110.16 173.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.96 -51.15 41.68 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 175.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -62.51 -36.38 82.36 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 118.942 -0.552 . . . . 0.0 112.006 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.9 -43.33 95.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 119.157 0.889 . . . . 0.0 110.354 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 -61.7 -43.39 98.95 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.664 0.665 . . . . 0.0 110.738 175.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -59.01 -44.61 91.73 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.1 0.56 . . . . 0.0 111.316 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 tt -59.54 -57.83 11.24 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.518 1.127 . . . . 0.0 109.241 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -53.1 -45.54 68.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.144 1.378 . . . . 0.0 111.986 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -68.02 -46.49 71.09 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.935 0.894 . . . . 0.0 111.201 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -118.83 78.65 16.13 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 125.005 1.322 . . . . 0.0 109.416 -176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -64.08 -32.69 63.78 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 123.144 2.563 . . . . 0.0 111.576 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.8 p -56.34 -39.88 73.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.24 1.016 . . . . 0.0 111.302 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -89.97 30.61 1.05 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.305 1.042 . . . . 0.0 111.605 -178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.3 p -62.58 -51.35 67.68 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.846 0.748 . . . . 0.0 110.945 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.21 -42.75 91.67 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.053 0.941 . . . . 0.0 111.463 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -59.0 -51.3 70.67 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.271 0.628 . . . . 0.0 110.45 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.3 t -57.63 -40.19 73.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 124.249 1.02 . . . . 0.0 111.057 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -56.86 -51.37 69.32 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 173.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.32 -51.19 52.78 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 124.252 0.929 . . . . 0.0 112.417 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -58.64 -46.85 86.23 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.259 1.024 . . . . 0.0 111.023 179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.78 -44.96 95.85 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.773 0.829 . . . . 0.0 111.241 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -63.81 -41.7 97.82 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.697 0.799 . . . . 0.0 110.742 178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -61.57 -48.37 81.26 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.64 0.776 . . . . 0.0 110.391 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.4 tp -63.74 -43.69 95.75 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.74 0.416 . . . . 0.0 110.479 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -57.0 -51.04 70.84 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.647 0.779 . . . . 0.0 110.585 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.87 -47.52 85.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.57 1.148 . . . . 0.0 111.212 -177.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.7 p -59.96 -33.43 71.93 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.837 0.455 . . . . 0.0 111.611 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -89.64 10.01 24.8 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.146 0.978 . . . . 0.0 112.353 178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.97 141.34 84.11 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 119.173 0.897 . . . . 0.0 110.131 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -67.54 -43.7 5.38 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.015 2.477 . . . . 0.0 110.571 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.615 -1.183 . . . . 0.0 110.814 175.096 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 111.267 0.099 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 61.75 -90.61 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.87 1.668 . . . . 0.0 111.657 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 p80 39.22 50.82 1.97 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 126.694 1.998 . . . . 0.0 112.761 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -84.17 71.96 10.55 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.833 0.853 . . . . 0.0 109.258 -176.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -61.17 -33.54 73.59 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.579 0.752 . . . . 0.0 111.555 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.31 -46.87 84.7 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.903 0.881 . . . . 0.0 111.297 175.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -61.98 -35.32 78.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.497 0.719 . . . . 0.0 110.468 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -78.11 2.99 16.2 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.062 1.745 . . . . 0.0 112.808 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -51.93 -50.72 60.57 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.861 0.864 . . . . 0.0 112.109 178.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.53 -32.14 73.31 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.186 0.994 . . . . 0.0 111.555 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -62.68 -48.15 80.56 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.343 0.52 . . . . 0.0 110.301 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -54.08 -51.47 64.04 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.073 0.549 . . . . 0.0 110.352 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -57.78 -57.51 12.43 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.519 0.728 . . . . 0.0 110.563 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t -52.2 -44.14 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 C-N-CA 125.025 1.33 . . . . 0.0 111.811 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.56 -50.38 74.01 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.178 0.444 . . . . 0.0 110.401 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -84.35 65.55 8.94 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.851 0.86 . . . . 0.0 110.781 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.5 mmt -121.82 84.95 44.38 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 124.938 1.295 . . . . 0.0 107.834 172.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.22 -19.77 33.5 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.233 2.622 . . . . 0.0 113.439 -169.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.5 m-20 -89.13 -28.88 19.76 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 118.393 0.542 . . . . 0.0 110.384 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.7 mt -71.2 169.42 15.16 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 122.747 0.419 . . . . 0.0 110.159 170.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -110.95 -167.86 1.23 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.69 0.796 . . . . 0.0 109.244 169.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.56 -57.92 10.7 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.999 0.919 . . . . 0.0 112.26 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -57.99 -42.94 86.18 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 119.157 0.889 . . . . 0.0 112.024 -170.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -61.41 -60.62 3.44 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 124.014 0.926 . . . . 0.0 110.729 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -59.83 -44.81 93.86 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -63.02 -34.52 77.73 Favored 'General case' 0 C--N 1.34 0.18 0 C-N-CA 122.805 0.442 . . . . 0.0 111.29 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.6 -47.41 57.75 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 170.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -68.54 -32.74 72.89 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 118.366 -0.826 . . . . 0.0 112.584 177.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.1 mt -60.07 -49.43 84.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 CA-C-N 119.792 1.178 . . . . 0.0 109.55 173.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -60.85 -40.26 92.21 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.741 0.416 . . . . 0.0 110.895 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 t -61.34 -41.03 96.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.758 0.423 . . . . 0.0 111.205 176.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.28 -55.03 36.53 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.168 0.987 . . . . 0.0 109.192 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -53.12 -46.3 68.71 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.641 1.176 . . . . 0.0 110.855 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -67.42 -45.48 76.0 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.833 0.853 . . . . 0.0 111.54 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -123.55 76.2 54.67 Favored Pre-proline 0 CA--C 1.534 0.363 0 C-N-CA 124.76 1.224 . . . . 0.0 110.381 -174.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -66.54 -28.43 45.4 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 123.219 2.613 . . . . 0.0 111.429 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -58.1 -39.45 78.66 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.867 0.867 . . . . 0.0 111.057 170.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -94.43 22.5 6.04 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.062 0.945 . . . . 0.0 112.34 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -53.11 -39.95 63.81 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.137 0.88 . . . . 0.0 112.236 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.73 86.16 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.433 0.693 . . . . 0.0 111.479 176.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -62.65 -50.11 72.49 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.085 0.554 . . . . 0.0 110.188 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -53.2 -46.49 56.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 C-N-CA 124.427 1.091 . . . . 0.0 111.067 178.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.0 tt -56.28 -55.33 34.67 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.681 1.192 . . . . 0.0 109.525 176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.27 -51.86 48.08 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.114 0.864 . . . . 0.0 112.369 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -60.05 -47.36 86.19 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.697 1.199 . . . . 0.0 111.074 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.12 82.85 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.283 0.633 . . . . 0.0 111.054 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -65.55 -38.28 89.13 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.529 0.332 . . . . 0.0 111.328 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.73 -46.04 87.17 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.09 0.556 . . . . 0.0 110.425 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.2 tp -62.31 -48.94 77.63 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.115 0.566 . . . . 0.0 109.851 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -54.66 -49.61 70.18 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.906 1.282 . . . . 0.0 111.035 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.46 -50.21 74.48 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.539 1.135 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.9 p -60.75 -35.34 76.16 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.794 0.438 . . . . 0.0 111.59 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -89.64 13.89 12.99 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.968 0.907 . . . . 0.0 112.28 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.05 125.63 89.59 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 118.958 0.799 . . . . 0.0 110.222 178.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.7 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 88.0 Cg_exo -50.34 -46.54 28.5 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.704 2.936 . . . . 0.0 113.101 175.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.7 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 65.5 tttp . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.381 -1.295 . . . . 0.0 109.4 -179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -72.37 132.35 43.84 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -39.07 -58.59 1.11 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 127.003 2.121 . . . . 0.0 113.62 -170.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -78.65 77.84 5.12 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -48.89 -36.09 16.3 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.365 1.466 . . . . 0.0 112.92 -174.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -44.62 -39.72 5.23 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.553 1.541 . . . . 0.0 113.421 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -64.46 -64.36 0.9 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.945 0.498 . . . . 0.0 110.689 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.6 35.34 0.88 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.772 1.229 . . . . 0.0 111.689 179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -61.79 -54.51 41.36 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 123.427 0.691 . . . . 0.0 111.832 -172.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.77 -49.7 72.42 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.899 0.48 . . . . 0.0 110.991 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -56.18 -52.31 64.84 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.623 1.169 . . . . 0.0 111.421 177.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -55.8 -47.23 77.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.75 1.22 . . . . 0.0 111.438 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -61.92 -47.81 83.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.874 -0.584 . . . . 0.0 110.822 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -55.37 -41.67 63.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 118.616 0.644 . . . . 0.0 111.162 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.24 -47.71 83.19 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 117.956 0.344 . . . . 0.0 110.672 173.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -86.23 64.44 8.56 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.133 0.973 . . . . 0.0 110.555 -177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.4 mtt -134.38 87.49 32.59 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 125.237 1.415 . . . . 0.0 108.302 173.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -52.56 -27.35 32.31 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 125.002 3.802 . . . . 0.0 115.823 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -88.67 -16.6 31.95 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.557 0.617 . . . . 0.0 111.288 -171.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.9 mt -75.22 171.9 13.35 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 169.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -119.67 178.52 4.54 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.589 1.156 . . . . 0.0 108.857 170.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.41 -56.42 15.12 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.231 1.012 . . . . 0.0 111.464 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -55.63 -47.1 77.17 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.575 0.75 . . . . 0.0 111.433 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -63.51 -56.58 14.93 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.14 0.576 . . . . 0.0 111.338 -178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -61.72 -40.89 96.67 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 119.361 -0.352 . . . . 0.0 111.11 -177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -58.49 -44.23 89.33 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 123.444 0.698 . . . . 0.0 110.51 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.1 -50.97 43.45 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 174.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -64.7 -39.91 94.47 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.984 -0.532 . . . . 0.0 111.885 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.2 mt -59.66 -45.11 94.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 119.116 0.871 . . . . 0.0 110.371 176.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -45.27 94.2 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.922 0.889 . . . . 0.0 110.854 176.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 t -58.41 -45.86 87.56 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.908 0.483 . . . . 0.0 111.346 176.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tt -58.55 -56.41 22.54 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.742 1.217 . . . . 0.0 109.497 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -53.26 -46.01 69.05 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.679 1.592 . . . . 0.0 111.089 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.29 -46.77 85.24 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.624 1.169 . . . . 0.0 111.399 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -135.01 81.28 45.89 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 123.493 0.717 . . . . 0.0 110.654 -176.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -56.91 -31.35 89.06 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 124.459 3.439 . . . . 0.0 114.086 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -53.79 -44.27 69.98 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.754 0.822 . . . . 0.0 111.619 -179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -97.47 31.32 2.57 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.634 0.773 . . . . 0.0 111.573 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -57.63 -35.41 70.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.02 0.528 . . . . 0.0 111.365 172.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.93 -44.9 96.56 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.003 0.921 . . . . 0.0 111.313 175.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -64.18 -48.65 75.11 Favored 'General case' 0 C--O 1.226 -0.17 0 C-N-CA 122.595 0.358 . . . . 0.0 110.07 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.9 t -53.98 -47.09 65.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 123.949 0.9 . . . . 0.0 110.711 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.5 tp -57.75 -47.17 83.24 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.903 0.881 . . . . 0.0 110.467 175.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.12 -54.04 36.51 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.999 0.809 . . . . 0.0 111.819 177.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -60.07 -44.82 94.46 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.086 0.954 . . . . 0.0 111.103 179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.66 -47.48 86.06 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.284 0.634 . . . . 0.0 111.254 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -65.74 -40.84 92.55 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.159 0.584 . . . . 0.0 110.765 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -59.38 -46.19 89.36 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.045 0.538 . . . . 0.0 110.119 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 tp -66.97 -44.51 80.3 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.918 0.487 . . . . 0.0 110.706 -178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -54.34 -50.24 67.88 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.602 1.161 . . . . 0.0 110.403 174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -60.21 -49.46 77.54 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.298 1.039 . . . . 0.0 111.114 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.8 p -61.6 -34.79 76.24 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.7 0.4 . . . . 0.0 111.811 -179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -89.51 12.56 16.2 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.929 0.892 . . . . 0.0 112.028 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.21 161.02 78.67 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 119.019 0.827 . . . . 0.0 110.722 177.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 32.1 Cg_exo -67.25 -171.55 0.3 Allowed 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.312 2.674 . . . . 0.0 112.408 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 55' ' ' PRO . 65.5 tttp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.165 -1.398 . . . . 0.0 109.515 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.752 0 CA-C-O 120.562 0.22 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 54.17 42.86 31.35 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.014 1.326 . . . . 0.0 110.437 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -172.98 -54.1 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 125.012 1.325 . . . . 0.0 108.854 -172.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -79.98 66.33 5.43 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.534 1.133 . . . . 0.0 110.281 -175.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -90.53 43.95 1.17 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.147 1.379 . . . . 0.0 109.203 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -82.87 44.51 0.92 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.67 1.188 . . . . 0.0 111.061 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -77.19 -64.86 1.04 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.29 1.036 . . . . 0.0 108.893 -174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -55.95 -36.36 67.7 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.169 1.388 . . . . 0.0 111.495 171.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.36 -54.96 32.78 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.137 0.575 . . . . 0.0 109.982 178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.97 -45.85 74.99 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.959 0.504 . . . . 0.0 110.963 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -56.21 -54.26 47.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.695 0.798 . . . . 0.0 110.993 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -60.17 -42.51 95.14 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.876 0.87 . . . . 0.0 111.698 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -63.73 -41.61 98.02 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 118.829 -0.605 . . . . 0.0 111.128 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.5 t -59.85 -39.06 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-N 118.644 0.656 . . . . 0.0 110.946 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.83 -45.02 95.65 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.888 0.767 . . . . 0.0 110.255 172.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -79.91 63.9 4.59 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.148 0.979 . . . . 0.0 110.515 179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.5 mmt -125.16 88.61 53.89 Favored Pre-proline 0 CA--C 1.532 0.284 0 C-N-CA 125.136 1.374 . . . . 0.0 107.49 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -69.55 -22.44 33.06 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.359 2.706 . . . . 0.0 113.78 -169.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -88.94 -29.44 19.56 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.57 0.623 . . . . 0.0 110.545 -176.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.6 mt -66.58 153.66 42.46 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 117.847 0.294 . . . . 0.0 110.574 175.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -89.88 179.96 5.86 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 169.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -57.64 12.17 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.412 0.685 . . . . 0.0 111.098 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -51.18 -47.41 62.2 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.864 0.865 . . . . 0.0 111.793 -177.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.12 -59.83 4.79 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.08 0.952 . . . . 0.0 111.578 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -63.04 -46.05 89.37 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 117.96 0.345 . . . . 0.0 111.109 -174.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -62.46 -35.8 80.46 Favored 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.506 0.722 . . . . 0.0 110.971 177.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.61 -48.9 59.63 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 172.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -66.18 -36.43 83.07 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 118.444 -0.789 . . . . 0.0 112.012 176.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -58.28 -46.47 88.91 Favored 'Isoleucine or valine' 0 C--N 1.343 0.288 0 CA-C-N 119.744 1.156 . . . . 0.0 110.574 174.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -61.74 -45.19 95.01 Favored 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.041 0.382 . . . . 0.0 110.657 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -57.15 -41.21 78.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.979 0.512 . . . . 0.0 111.399 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.2 tt -65.32 -50.85 64.06 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.76 1.224 . . . . 0.0 109.684 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -53.78 -45.87 70.82 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.542 1.137 . . . . 0.0 110.844 177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.82 -45.25 75.22 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.741 0.817 . . . . 0.0 111.109 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -119.14 81.04 20.13 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 124.907 1.283 . . . . 0.0 109.676 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -73.08 -15.67 25.75 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 123.238 2.625 . . . . 0.0 112.41 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -72.72 -47.05 50.31 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.764 0.711 . . . . 0.0 110.495 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -94.1 33.64 1.33 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.447 0.699 . . . . 0.0 111.889 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -57.21 -34.09 68.18 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.335 0.654 . . . . 0.0 111.935 175.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.72 -42.75 99.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.812 0.845 . . . . 0.0 111.169 174.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -66.52 -46.81 74.95 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 122.774 0.43 . . . . 0.0 109.977 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.7 t -57.45 -44.01 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 124.034 0.934 . . . . 0.0 110.811 177.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.16 -44.44 92.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.36 0.664 . . . . 0.0 110.203 174.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.98 -50.69 57.86 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 123.877 0.751 . . . . 0.0 111.748 175.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.84 -47.05 86.19 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.961 0.904 . . . . 0.0 110.832 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.1 -48.35 82.09 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.493 0.717 . . . . 0.0 111.448 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tm0? -59.51 -46.76 87.91 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.296 1.038 . . . . 0.0 110.325 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.68 -49.41 77.63 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.44 0.696 . . . . 0.0 110.808 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.81 -35.33 80.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.647 0.779 . . . . 0.0 111.05 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -63.48 -53.4 52.62 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.216 1.006 . . . . 0.0 109.683 174.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.14 -48.19 82.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.795 1.238 . . . . 0.0 111.797 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.5 p -60.3 -35.36 75.41 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.615 0.766 . . . . 0.0 111.758 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -88.83 58.3 4.54 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.87 122.13 80.95 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 123.777 0.831 . . . . 0.0 109.788 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -51.34 -42.95 52.25 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.856 3.037 . . . . 0.0 112.928 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 pttp . . . . . 0 C--O 1.25 1.116 0 CA-C-O 116.917 -1.516 . . . . 0.0 110.083 179.176 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 71.12 138.22 0.04 OUTLIER 'General case' 0 C--N 1.342 0.256 0 C-N-CA 126.581 1.953 . . . . 0.0 111.319 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -144.59 158.63 43.68 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 124.463 1.105 . . . . 0.0 109.203 -176.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 55.05 51.27 13.72 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.691 1.196 . . . . 0.0 110.53 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -90.05 33.89 0.86 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.641 1.176 . . . . 0.0 110.853 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.95 -46.22 65.76 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 124.039 0.936 . . . . 0.0 110.345 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -62.98 -44.41 96.12 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.184 0.593 . . . . 0.0 110.322 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -56.05 -49.44 73.73 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.147 0.979 . . . . 0.0 109.856 174.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -58.25 -46.09 86.6 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.846 0.859 . . . . 0.0 111.194 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.46 -54.87 40.68 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.401 0.546 . . . . 0.0 111.348 177.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -56.67 -49.05 76.22 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.816 0.847 . . . . 0.0 111.452 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -58.01 -48.85 78.8 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.909 1.284 . . . . 0.0 110.966 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -60.25 -45.72 92.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.752 0.821 . . . . 0.0 111.23 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.4 t -52.58 -42.64 40.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 118.363 0.529 . . . . 0.0 111.036 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.65 -51.79 52.19 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.086 0.403 . . . . 0.0 110.747 173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -82.62 65.46 7.76 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.64 1.176 . . . . 0.0 110.658 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.6 mtt -132.8 99.89 15.03 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 126.214 1.806 . . . . 0.0 106.54 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -45.05 -36.66 11.81 Favored 'Trans proline' 0 C--N 1.348 0.505 1 C-N-CA 125.404 4.069 . . . . 0.0 116.226 -171.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -89.01 -18.5 27.23 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.835 -172.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.7 mt -79.1 122.8 26.68 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.474 0.579 . . . . 0.0 109.588 175.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -89.26 177.24 6.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 172.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.86 -53.36 7.61 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.308 1.443 . . . . 0.0 112.757 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -51.92 -49.2 63.56 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.549 0.739 . . . . 0.0 111.579 -178.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -68.4 -57.24 6.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.581 0.752 . . . . 0.0 110.467 -174.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.8 ptt180 -64.84 -41.87 95.37 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.244 0.618 . . . . 0.0 111.806 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -61.33 -41.6 97.29 Favored 'General case' 0 C--N 1.34 0.181 0 CA-C-N 118.085 0.402 . . . . 0.0 110.237 174.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.61 -53.32 36.37 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.925 0.774 . . . . 0.0 111.399 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -60.02 -37.99 81.35 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 117.157 0.478 . . . . 0.0 111.55 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.7 mt -61.48 -37.42 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 118.55 -0.738 . . . . 0.0 110.712 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -63.91 -42.04 97.51 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 119.549 1.068 . . . . 0.0 110.443 175.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.9 m -60.29 -41.76 94.05 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.749 0.42 . . . . 0.0 111.134 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.29 -55.43 28.36 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.378 1.071 . . . . 0.0 109.526 178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -53.16 -44.62 67.96 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.801 1.24 . . . . 0.0 111.159 177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -61.91 -46.18 90.46 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.195 0.998 . . . . 0.0 111.387 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -133.86 84.17 44.69 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 123.638 0.775 . . . . 0.0 110.171 -177.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -55.48 -41.53 77.06 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 124.378 3.385 . . . . 0.0 113.471 179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 p -59.02 -29.73 67.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.864 0.466 . . . . 0.0 112.244 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -93.34 20.77 6.71 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.831 0.853 . . . . 0.0 112.492 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.6 m -50.99 -38.54 51.75 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-N 119.44 1.018 . . . . 0.0 112.094 171.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.6 85.72 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.687 0.795 . . . . 0.0 111.478 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -63.53 -50.65 68.71 Favored 'General case' 0 C--N 1.34 0.155 0 C-N-CA 122.916 0.486 . . . . 0.0 110.204 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.19 -46.92 68.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.669 1.188 . . . . 0.0 110.788 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.68 -46.66 81.02 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.302 1.041 . . . . 0.0 110.332 175.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.89 -58.16 13.61 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 176.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -58.32 -37.95 76.12 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.683 0.793 . . . . 0.0 111.769 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -47.05 86.62 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.975 0.51 . . . . 0.0 111.008 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -65.08 -41.55 94.94 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.014 0.37 . . . . 0.0 111.125 178.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -58.2 -46.16 86.3 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.707 0.403 . . . . 0.0 110.428 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tp -67.12 -44.53 79.69 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 122.434 0.294 . . . . 0.0 110.756 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -52.04 -52.99 47.33 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.255 1.022 . . . . 0.0 110.049 174.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.85 -48.71 79.0 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.275 1.03 . . . . 0.0 111.46 178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.5 p -63.15 -28.61 70.18 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.919 0.488 . . . . 0.0 112.161 -178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -88.48 55.22 3.32 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.36 126.44 92.32 Favored Pre-proline 0 CA--C 1.535 0.389 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.486 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -50.6 -42.93 47.95 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.899 3.066 . . . . 0.0 113.011 175.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.25 1.117 0 CA-C-O 116.883 -1.532 . . . . 0.0 110.097 178.826 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 111.661 0.245 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -70.89 122.3 19.69 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -84.1 65.8 8.92 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 t70 61.73 102.48 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.289 1.836 . . . . 0.0 110.195 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -49.25 -49.06 45.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.255 1.422 . . . . 0.0 112.151 -174.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.15 -53.28 60.16 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.304 0.642 . . . . 0.0 111.2 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -55.69 -59.24 5.13 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 124.457 1.103 . . . . 0.0 110.754 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -63.32 -42.01 98.97 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -173.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -64.8 -52.83 54.71 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 122.842 0.457 . . . . 0.0 110.39 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -45.22 91.0 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.062 0.545 . . . . 0.0 110.722 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -58.68 -52.49 65.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.242 1.017 . . . . 0.0 111.047 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -54.0 -47.18 71.74 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.142 0.977 . . . . 0.0 110.995 176.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -61.22 -51.95 66.85 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.146 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.6 t -55.27 -41.07 59.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 118.836 0.744 . . . . 0.0 111.323 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -59.88 -52.74 64.14 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.253 0.479 . . . . 0.0 110.234 172.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -82.04 62.9 6.01 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.557 1.143 . . . . 0.0 111.061 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 39.0 mtt -133.36 88.28 35.58 Favored Pre-proline 0 CA--C 1.534 0.357 0 C-N-CA 125.505 1.522 . . . . 0.0 107.902 172.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -51.13 -29.49 28.79 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 125.007 3.804 . . . . 0.0 115.869 -174.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -88.93 -14.44 36.69 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.336 0.517 . . . . 0.0 112.029 -169.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.9 mt -78.87 146.15 33.79 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.461 0.573 . . . . 0.0 109.98 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -89.48 170.07 10.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.35 0.66 . . . . 0.0 109.358 170.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.7 -55.62 21.38 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.409 1.084 . . . . 0.0 111.786 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -53.04 -49.16 66.86 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.657 0.783 . . . . 0.0 111.327 -176.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.06 -63.03 1.44 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.374 0.67 . . . . 0.0 110.941 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 ptt85 -58.98 -39.05 80.6 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-O 119.215 -0.422 . . . . 0.0 111.919 -173.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -62.81 -41.89 99.49 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.309 0.504 . . . . 0.0 110.63 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.03 -51.9 43.23 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -60.23 -46.75 88.7 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 118.632 -0.699 . . . . 0.0 111.448 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 52.4 mt -53.63 -50.75 48.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 124.339 1.056 . . . . 0.0 111.042 178.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -57.48 -52.83 63.8 Favored 'General case' 0 C--N 1.339 0.129 0 C-N-CA 122.587 0.355 . . . . 0.0 110.088 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.3 t -52.92 -40.81 63.87 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.355 0.662 . . . . 0.0 111.726 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -55.69 31.65 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.224 1.409 . . . . 0.0 110.602 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -72.25 -33.52 67.56 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.147 0.579 . . . . 0.0 111.582 -175.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -65.21 -45.27 85.42 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.195 0.598 . . . . 0.0 110.449 174.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -121.66 78.41 38.47 Favored Pre-proline 0 CA--C 1.537 0.453 0 C-N-CA 124.826 1.25 . . . . 0.0 109.663 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -67.76 -26.76 38.53 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.225 2.617 . . . . 0.0 111.944 -178.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.2 p -64.11 -14.33 54.04 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.35 0.523 . . . . 0.0 112.267 174.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -116.37 32.28 6.22 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.88 1.272 . . . . 0.0 111.072 176.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.7 m -55.6 -47.97 75.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.199 0.454 . . . . 0.0 110.579 172.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.46 -43.51 98.74 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.277 1.031 . . . . 0.0 111.96 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -64.97 -52.03 58.47 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.893 0.477 . . . . 0.0 110.328 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.28 -47.71 68.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 124.358 1.063 . . . . 0.0 110.468 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -54.91 -51.83 64.82 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.395 1.078 . . . . 0.0 110.15 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.57 -57.55 15.31 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 124.133 0.873 . . . . 0.0 111.781 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -55.87 -49.55 73.06 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.977 0.911 . . . . 0.0 111.078 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.6 87.08 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.491 0.716 . . . . 0.0 111.694 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -69.46 -43.31 73.52 Favored 'General case' 0 C--N 1.339 0.151 0 C-N-CA 123.177 0.591 . . . . 0.0 111.127 -178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -61.79 -41.31 97.58 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.385 0.539 . . . . 0.0 110.768 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.47 -50.81 71.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.694 0.798 . . . . 0.0 110.399 176.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.5 t30 -55.35 -47.18 76.12 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.312 1.045 . . . . 0.0 110.967 176.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -60.95 -47.56 85.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.736 1.214 . . . . 0.0 111.17 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.6 p -62.39 -29.71 70.68 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.621 0.368 . . . . 0.0 111.877 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -89.4 4.32 49.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.691 0.796 . . . . 0.0 112.341 177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.59 128.48 92.98 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 119.24 0.927 . . . . 0.0 109.914 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -82.05 -162.17 0.17 Allowed 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 123.605 2.87 . . . . 0.0 109.52 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.2 mttp . . . . . 0 C--O 1.25 1.127 0 C-N-CA 125.195 1.398 . . . . 0.0 109.079 179.828 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.725 0 CA-C-O 120.787 0.327 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -157.35 178.51 10.24 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 124.486 1.114 . . . . 0.0 109.541 179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -136.29 128.46 29.83 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 175.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -81.3 64.19 5.93 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.897 0.879 . . . . 0.0 110.167 -175.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -90.55 40.03 1.0 Allowed 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 125.29 1.436 . . . . 0.0 110.297 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.77 -48.35 75.46 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.29 1.036 . . . . 0.0 111.614 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -61.95 -53.18 59.23 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.884 0.874 . . . . 0.0 110.571 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.98 -52.42 65.57 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 124.368 1.067 . . . . 0.0 110.274 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -57.63 -47.22 82.81 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.036 0.934 . . . . 0.0 111.381 -177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.44 -55.52 32.56 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.931 0.492 . . . . 0.0 110.927 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -52.84 -45.76 67.49 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.329 1.051 . . . . 0.0 111.327 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.36 -52.91 61.75 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 124.815 1.246 . . . . 0.0 110.835 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -59.87 -44.48 94.14 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.499 0.59 . . . . 0.0 111.41 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.8 t -52.83 -47.05 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 C-N-CA 123.705 0.802 . . . . 0.0 111.019 178.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 77.2 mt -65.85 -55.22 18.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 117.828 0.285 . . . . 0.0 110.701 174.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -83.8 68.03 9.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.957 1.303 . . . . 0.0 110.561 -173.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.8 mtm -142.03 142.04 23.56 Favored Pre-proline 0 CA--C 1.534 0.361 0 C-N-CA 124.663 1.185 . . . . 0.0 108.338 169.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.39 -44.59 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.546 2.831 . . . . 0.0 113.396 -169.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -89.53 -17.78 27.92 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -169.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.0 mt -72.71 106.38 4.68 Favored 'General case' 0 C--N 1.341 0.226 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 173.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -88.72 174.39 8.04 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -39.99 -58.76 1.35 Allowed 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.763 1.625 . . . . 0.0 113.258 -172.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -52.04 -46.14 64.95 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.063 0.945 . . . . 0.0 111.816 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -68.64 -57.86 5.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.833 0.853 . . . . 0.0 110.22 -175.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -62.01 -43.1 99.56 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.869 0.467 . . . . 0.0 111.405 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -61.36 -43.6 98.59 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.145 0.578 . . . . 0.0 110.312 176.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.59 -53.4 32.61 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 174.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -62.92 -37.11 85.69 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 118.962 -0.542 . . . . 0.0 112.395 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.47 -46.2 95.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 118.856 0.753 . . . . 0.0 110.139 175.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -62.07 -42.42 99.18 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.151 0.432 . . . . 0.0 110.966 177.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 m -58.7 -45.25 89.92 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.938 0.495 . . . . 0.0 111.158 176.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.47 -52.42 65.3 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.539 1.136 . . . . 0.0 109.622 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -55.44 -49.11 73.31 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.548 1.139 . . . . 0.0 110.666 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -64.43 -46.05 84.89 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.889 0.876 . . . . 0.0 111.336 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -118.81 79.02 16.4 Favored Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 125.042 1.337 . . . . 0.0 109.505 -176.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -63.0 -38.05 49.15 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.913 2.409 . . . . 0.0 111.618 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.0 p -57.86 -30.61 65.95 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.084 0.954 . . . . 0.0 112.261 175.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -89.72 35.39 0.83 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.798 0.839 . . . . 0.0 111.881 -175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -58.89 -47.17 85.92 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.737 -0.602 . . . . 0.0 110.911 175.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.46 97.36 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.287 1.035 . . . . 0.0 111.879 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -66.71 -51.57 54.53 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.942 0.497 . . . . 0.0 109.815 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.21 -44.84 66.13 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 124.194 0.998 . . . . 0.0 110.624 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.7 mt -53.61 -49.92 66.77 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 123.304 0.641 . . . . 0.0 110.645 172.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.8 -58.44 8.46 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 123.953 0.787 . . . . 0.0 111.877 177.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -62.45 -39.83 94.64 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 117.142 0.471 . . . . 0.0 111.753 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.94 -51.37 64.71 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.213 0.605 . . . . 0.0 111.402 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -58.09 -45.63 86.86 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.743 0.817 . . . . 0.0 110.635 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -47.01 87.37 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.215 0.606 . . . . 0.0 111.336 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.84 -41.34 91.88 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.12 0.568 . . . . 0.0 110.286 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -58.44 -48.6 80.19 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.008 0.523 . . . . 0.0 110.357 175.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.1 -49.55 76.57 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.932 0.893 . . . . 0.0 111.116 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.9 p -62.67 -29.73 70.86 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -89.35 7.5 35.41 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.611 0.764 . . . . 0.0 111.964 178.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.71 90.83 Favored Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 119.16 0.891 . . . . 0.0 109.692 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.471 ' O ' ' HB2' ' A' ' 56' ' ' LYS . 28.1 Cg_endo -82.27 -160.38 0.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.606 2.871 . . . . 0.0 109.405 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 55' ' ' PRO . 66.7 tttm . . . . . 0 C--O 1.25 1.107 0 CA-C-O 117.244 -1.36 . . . . 0.0 109.533 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 -65.85 -52.97 45.88 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.495 0.718 . . . . 0.0 111.123 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 t60 72.91 -54.09 0.7 Allowed 'General case' 0 C--N 1.342 0.242 0 C-N-CA 126.384 1.874 . . . . 0.0 111.036 -171.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -55.42 138.39 46.12 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 123.637 0.775 . . . . 0.0 109.886 173.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -90.67 21.53 3.99 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.119 0.568 . . . . 0.0 111.511 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.74 -51.13 5.53 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 124.925 1.29 . . . . 0.0 111.011 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -71.14 -58.73 3.27 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -79.41 44.09 0.58 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.842 1.257 . . . . 0.0 111.19 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -74.95 -48.75 22.85 Favored 'General case' 0 C--N 1.34 0.182 0 O-C-N 121.829 -0.545 . . . . 0.0 110.815 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.9 -46.69 81.78 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.055 0.542 . . . . 0.0 110.352 176.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -54.73 -52.03 63.77 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.762 1.225 . . . . 0.0 111.203 175.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -56.5 -46.23 80.61 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.604 0.761 . . . . 0.0 110.907 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -61.49 -43.67 98.46 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.826 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.9 t -55.63 -45.09 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 118.753 0.706 . . . . 0.0 110.534 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -62.26 -38.01 87.65 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 117.947 0.34 . . . . 0.0 111.527 174.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -68.4 -25.33 64.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.238 -177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.2 mmt -52.49 114.57 5.79 Favored Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 119.1 0.864 . . . . 0.0 110.846 -176.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.98 -32.52 5.34 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.708 2.272 . . . . 0.0 113.437 -171.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -89.47 -16.83 29.92 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -169.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.5 mt -68.77 157.04 37.21 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.771 0.714 . . . . 0.0 110.661 176.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -99.77 177.94 4.98 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.407 0.683 . . . . 0.0 109.335 169.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.95 -58.17 9.3 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.764 0.826 . . . . 0.0 111.276 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -51.52 -45.69 63.0 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.78 0.832 . . . . 0.0 111.841 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -61.88 -59.48 5.07 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.934 0.894 . . . . 0.0 111.359 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -61.55 -40.48 94.86 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 117.948 0.34 . . . . 0.0 111.191 -176.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -61.39 -39.94 92.52 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.585 0.754 . . . . 0.0 110.707 175.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.94 -50.94 61.34 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -63.79 -39.23 93.74 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.451 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.99 -47.87 82.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 118.954 0.797 . . . . 0.0 110.143 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.74 -47.26 80.43 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.53 0.732 . . . . 0.0 110.766 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m -59.4 -40.19 85.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.499 0.72 . . . . 0.0 111.305 178.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -63.53 -53.8 46.23 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.604 1.162 . . . . 0.0 109.298 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -55.08 -44.32 74.75 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.674 1.19 . . . . 0.0 111.202 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -68.99 -47.08 66.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.196 0.998 . . . . 0.0 111.177 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -122.28 76.2 42.73 Favored Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 125.035 1.334 . . . . 0.0 109.708 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.88 -32.78 44.81 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.007 2.471 . . . . 0.0 111.185 -179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.1 p -54.8 -36.48 64.98 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.061 0.944 . . . . 0.0 111.568 171.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -96.14 20.12 10.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.023 0.929 . . . . 0.0 112.384 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.5 p -53.85 -36.56 62.71 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.77 0.714 . . . . 0.0 112.439 -179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.82 88.84 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.918 0.887 . . . . 0.0 111.398 177.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -64.42 -47.3 79.65 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 123.178 0.591 . . . . 0.0 109.972 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -56.21 -48.55 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.201 1.0 . . . . 0.0 110.51 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.3 tp -59.25 -43.37 92.44 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.743 0.817 . . . . 0.0 110.443 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.51 -51.36 55.19 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.936 0.779 . . . . 0.0 111.63 176.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -66.1 -37.1 84.93 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.563 0.745 . . . . 0.0 111.666 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.44 -47.81 84.01 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.783 0.433 . . . . 0.0 110.609 175.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -63.91 -39.77 94.93 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.778 0.831 . . . . 0.0 111.015 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.22 -49.54 75.36 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.007 0.923 . . . . 0.0 110.493 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.6 tp -65.8 -40.97 92.41 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.06 0.544 . . . . 0.0 110.307 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -57.47 -48.89 77.99 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.895 0.878 . . . . 0.0 110.825 174.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -62.11 -47.39 84.82 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.139 0.976 . . . . 0.0 111.028 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 84.3 p -59.95 -35.22 74.48 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.832 0.453 . . . . 0.0 111.615 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -89.67 9.14 28.14 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.01 0.924 . . . . 0.0 112.369 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.96 120.01 78.64 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 119.18 0.9 . . . . 0.0 110.784 -177.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.25 -48.3 0.64 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.245 1.963 . . . . 0.0 109.877 176.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.743 -1.122 . . . . 0.0 111.075 172.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 111.73 0.27 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -140.49 148.11 40.61 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.311 1.044 . . . . 0.0 109.639 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 57.1 47.46 17.28 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.706 1.202 . . . . 0.0 108.912 -173.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -157.96 166.11 33.44 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.447 1.099 . . . . 0.0 109.716 -168.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -53.15 -20.95 4.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.46 1.104 . . . . 0.0 112.941 173.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -42.08 -36.91 1.26 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.009 1.324 . . . . 0.0 112.746 170.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.69 -61.6 2.31 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.473 0.709 . . . . 0.0 110.878 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -64.23 -35.01 79.41 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 122.344 0.258 . . . . 0.0 111.558 -178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -63.02 -49.0 76.35 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.052 0.941 . . . . 0.0 110.013 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -47.95 81.76 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.044 0.538 . . . . 0.0 110.746 178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -53.45 -51.57 62.26 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.004 0.922 . . . . 0.0 110.949 177.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -54.49 -55.13 32.11 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.884 1.274 . . . . 0.0 110.751 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -57.84 -45.57 86.04 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.383 0.673 . . . . 0.0 112.147 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.3 t -55.11 -45.96 77.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.873 0.869 . . . . 0.0 110.559 177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.1 -37.7 88.25 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.572 0.349 . . . . 0.0 111.464 174.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -69.11 -24.56 64.14 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 118.127 -0.94 . . . . 0.0 113.222 -177.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.0 mmt -52.95 115.91 8.23 Favored Pre-proline 0 CA--C 1.536 0.427 0 CA-C-N 119.198 0.908 . . . . 0.0 110.831 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.99 -29.95 7.71 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.628 2.218 . . . . 0.0 113.124 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -89.42 -20.68 23.65 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -169.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.1 mt -67.92 158.45 32.68 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 118.652 0.66 . . . . 0.0 110.932 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -101.99 177.12 4.98 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.684 0.794 . . . . 0.0 109.27 169.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.17 -55.8 28.71 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.954 0.902 . . . . 0.0 111.518 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -53.97 -45.71 71.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.621 0.768 . . . . 0.0 111.687 -177.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -62.33 -58.28 8.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.815 0.846 . . . . 0.0 111.26 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -61.78 -40.85 96.64 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 117.878 0.308 . . . . 0.0 111.289 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.15 -43.01 96.08 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.52 0.728 . . . . 0.0 110.504 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.45 -50.68 55.88 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -65.63 -37.94 87.98 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 119.023 -0.513 . . . . 0.0 111.877 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 47.9 mt -58.0 -49.91 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 CA-C-N 118.907 0.776 . . . . 0.0 110.106 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -60.0 -44.24 94.66 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.763 177.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 t -57.14 -41.39 79.04 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.055 0.542 . . . . 0.0 111.32 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.3 -55.0 38.98 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.35 1.06 . . . . 0.0 109.544 176.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -57.4 -43.5 83.77 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.467 1.107 . . . . 0.0 111.539 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -70.41 -46.24 64.35 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.948 0.899 . . . . 0.0 111.03 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -127.55 72.28 77.76 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 124.595 1.158 . . . . 0.0 110.14 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -71.25 -18.46 30.28 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 123.41 2.74 . . . . 0.0 111.815 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.6 p -49.52 -41.36 40.79 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.72 1.208 . . . . 0.0 111.544 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -114.25 43.63 1.84 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.146 0.978 . . . . 0.0 110.595 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.1 t -54.82 -40.34 69.44 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.296 0.638 . . . . 0.0 111.117 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.63 -43.68 85.0 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.012 0.925 . . . . 0.0 111.534 175.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -63.8 -48.3 77.43 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 122.704 0.402 . . . . 0.0 110.097 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.5 t -54.24 -44.32 64.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.997 0.919 . . . . 0.0 110.831 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.31 -53.85 53.47 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.716 0.806 . . . . 0.0 109.49 175.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.33 -56.36 19.91 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.54 1.067 . . . . 0.0 112.653 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.45 -32.8 74.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.62 0.768 . . . . 0.0 111.999 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.41 92.3 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.192 0.451 . . . . 0.0 110.403 173.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -39.87 95.84 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.972 0.509 . . . . 0.0 110.213 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.03 -49.39 77.83 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.977 -0.452 . . . . 0.0 110.512 177.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 tp -62.95 -43.66 98.18 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 122.784 0.434 . . . . 0.0 110.598 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -53.2 -58.11 8.18 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.845 1.258 . . . . 0.0 110.668 174.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -59.93 -48.34 82.1 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.823 1.249 . . . . 0.0 111.713 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.5 p -65.53 -18.96 65.71 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -88.81 -67.43 0.84 Allowed 'General case' 0 C--N 1.341 0.216 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 41.59 68.14 2.74 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 124.922 1.289 . . . . 0.0 113.401 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -82.49 -162.45 0.18 Allowed 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 123.8 3.0 . . . . 0.0 109.409 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 C--O 1.251 1.132 0 CA-C-O 117.131 -1.414 . . . . 0.0 109.829 178.714 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -71.49 -55.3 8.15 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.811 0.845 . . . . 0.0 109.321 176.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -151.72 63.95 0.86 Allowed 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 42.95 36.07 0.84 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.5 1.92 . . . . 0.0 113.665 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -44.07 95.84 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.595 1.158 . . . . 0.0 111.48 -176.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.39 94.82 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.324 0.65 . . . . 0.0 110.859 177.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -63.18 -56.95 12.41 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.859 0.864 . . . . 0.0 110.925 -177.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -62.34 -36.67 82.94 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 119.37 -0.348 . . . . 0.0 111.403 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -63.82 -46.33 85.59 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.849 0.46 . . . . 0.0 110.648 176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.03 -47.69 84.3 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.939 0.495 . . . . 0.0 110.862 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -58.09 -50.81 72.19 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.411 1.085 . . . . 0.0 110.658 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -58.08 -46.61 85.19 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.66 1.184 . . . . 0.0 111.248 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -57.68 -45.81 85.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.783 -0.627 . . . . 0.0 110.835 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.3 t -60.22 -41.13 85.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 118.64 0.655 . . . . 0.0 111.215 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 99.0 mt -58.55 -44.09 89.55 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.966 0.803 . . . . 0.0 110.62 173.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -87.11 69.85 10.17 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.143 0.977 . . . . 0.0 109.969 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 20.3 mmt -124.34 92.86 47.51 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 125.087 1.355 . . . . 0.0 109.043 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -53.38 -34.6 71.81 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 124.854 3.703 . . . . 0.0 115.557 -175.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.57 -36.61 16.24 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.194 0.452 . . . . 0.0 110.223 -170.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.93 166.32 7.58 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.205 0.526 . . . . 0.0 110.77 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -108.04 -176.47 3.07 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.585 1.154 . . . . 0.0 108.961 169.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.3 -56.14 25.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.689 0.796 . . . . 0.0 111.243 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.63 -46.89 70.64 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.306 0.643 . . . . 0.0 111.645 -177.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -61.52 -58.52 7.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.415 0.686 . . . . 0.0 111.577 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.6 ptp180 -62.29 -40.14 95.28 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -63.64 -35.75 81.55 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.83 0.452 . . . . 0.0 110.82 174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.39 -49.36 79.45 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 123.911 0.767 . . . . 0.0 111.368 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -58.09 -45.53 87.03 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.277 0.631 . . . . 0.0 110.961 175.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mt -55.1 -44.67 75.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 123.189 0.596 . . . . 0.0 110.952 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.57 -49.76 73.93 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.794 0.837 . . . . 0.0 110.86 179.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -54.75 -42.9 72.21 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.225 0.61 . . . . 0.0 110.929 175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -46.09 90.03 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.031 0.533 . . . . 0.0 110.593 178.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -60.05 -42.47 94.54 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.89 0.876 . . . . 0.0 111.27 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -56.68 -40.26 75.24 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.246 0.618 . . . . 0.0 111.415 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -145.96 97.38 4.53 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 175.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -47.41 -34.93 20.29 Favored 'Trans proline' 0 C--N 1.348 0.531 1 C-N-CA 125.566 4.177 . . . . 0.0 115.266 -178.042 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.3 p -64.87 -8.49 15.57 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -88.86 37.38 0.84 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.902 0.774 . . . . 0.0 110.43 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.7 m -65.59 -58.37 5.92 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 121.752 -0.593 . . . . 0.0 109.805 178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.51 -41.15 96.87 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.246 1.018 . . . . 0.0 111.633 178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -59.32 -58.87 6.71 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.924 0.89 . . . . 0.0 110.413 178.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.73 -44.04 80.69 Favored 'Isoleucine or valine' 0 C--N 1.339 0.131 0 CA-C-O 118.733 -0.651 . . . . 0.0 110.643 179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.5 mt -53.35 -46.91 69.71 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.566 0.621 . . . . 0.0 111.208 174.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.99 -62.56 5.83 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 123.916 0.769 . . . . 0.0 111.544 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.57 -41.72 96.1 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 117.057 0.429 . . . . 0.0 111.822 -176.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.56 -51.64 67.74 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.407 0.683 . . . . 0.0 111.25 -178.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -66.06 -40.13 90.67 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.96 0.504 . . . . 0.0 110.978 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.29 -50.86 71.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.879 0.472 . . . . 0.0 110.23 177.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 tp -59.92 -51.0 71.56 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.106 0.562 . . . . 0.0 109.933 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -50.17 -60.39 3.01 Favored 'General case' 0 C--N 1.34 0.175 0 C-N-CA 124.266 1.027 . . . . 0.0 110.269 177.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -54.31 -52.55 61.16 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.781 0.832 . . . . 0.0 111.327 -177.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -64.18 -6.22 6.27 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -173.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -88.66 -38.73 14.56 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.025 0.829 . . . . 0.0 109.975 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -162.54 82.48 1.64 Allowed Pre-proline 0 CA--C 1.535 0.373 0 C-N-CA 123.859 0.864 . . . . 0.0 109.969 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -50.03 -49.16 16.93 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.584 3.523 . . . . 0.0 112.686 -178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.5 mtpt . . . . . 0 C--O 1.251 1.139 0 CA-C-O 117.186 -1.388 . . . . 0.0 109.154 174.806 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.01 -37.52 87.74 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.868 0.867 . . . . 0.0 112.483 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -130.4 -51.49 1.09 Allowed 'General case' 0 C--N 1.341 0.231 0 C-N-CA 124.226 1.01 . . . . 0.0 110.686 -175.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 59.19 28.82 18.24 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.885 1.274 . . . . 0.0 111.508 -172.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.2 -36.07 78.98 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.824 0.849 . . . . 0.0 111.164 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.55 -47.41 81.68 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.619 0.768 . . . . 0.0 110.488 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -57.3 -52.16 66.45 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 123.66 0.784 . . . . 0.0 109.629 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -56.97 -50.35 72.94 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.711 1.604 . . . . 0.0 111.297 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -57.82 -49.69 75.8 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.266 1.027 . . . . 0.0 110.766 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.49 87.02 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.188 0.595 . . . . 0.0 111.069 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -55.66 -51.68 66.42 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.7 1.2 . . . . 0.0 110.717 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 18.9 m-30 -58.39 -49.18 78.18 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 123.64 0.776 . . . . 0.0 110.915 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -56.74 -49.99 73.59 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 119.204 -0.426 . . . . 0.0 111.044 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.5 t -53.51 -44.31 55.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.583 0.753 . . . . 0.0 111.344 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.27 -52.95 59.92 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.298 0.499 . . . . 0.0 110.949 176.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -81.13 71.33 8.1 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.059 0.944 . . . . 0.0 110.392 -174.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.4 mtt -135.25 93.46 16.76 Favored Pre-proline 0 CA--C 1.532 0.268 0 C-N-CA 125.44 1.496 . . . . 0.0 109.052 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -51.72 -29.6 34.19 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 124.981 3.788 . . . . 0.0 115.424 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -88.67 -31.13 18.66 Favored 'General case' 0 C--N 1.34 0.189 0 CA-C-N 118.49 0.586 . . . . 0.0 110.34 -172.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.9 mt -68.5 144.2 54.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 118.177 0.444 . . . . 0.0 110.556 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -89.56 172.49 8.93 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 169.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.28 -53.62 51.28 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.823 0.849 . . . . 0.0 111.745 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.74 -49.32 68.42 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.574 0.75 . . . . 0.0 111.486 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -58.86 -58.96 6.3 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.68 0.792 . . . . 0.0 111.52 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -63.92 -46.65 83.84 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.709 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -61.93 -36.31 80.99 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.163 0.438 . . . . 0.0 110.667 176.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.67 -53.5 32.39 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 171.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -61.78 -37.22 83.51 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 118.751 -0.642 . . . . 0.0 112.327 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.42 -48.98 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 119.445 1.02 . . . . 0.0 110.338 174.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -61.29 -39.87 92.03 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 118.152 0.433 . . . . 0.0 111.162 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -60.29 -39.53 87.25 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.13 0.423 . . . . 0.0 111.396 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tt -62.76 -53.63 51.44 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.1 0.96 . . . . 0.0 109.408 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -54.25 -47.37 72.33 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.773 0.829 . . . . 0.0 111.219 178.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -66.39 -45.51 79.78 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.772 0.829 . . . . 0.0 111.496 -177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -120.29 77.88 26.18 Favored Pre-proline 0 CA--C 1.534 0.339 0 C-N-CA 125.043 1.337 . . . . 0.0 109.571 -176.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.0 -36.44 38.17 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 123.072 2.514 . . . . 0.0 111.176 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 p -54.82 -42.44 71.89 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.105 0.962 . . . . 0.0 111.318 172.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -89.98 22.56 3.14 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.769 0.827 . . . . 0.0 112.185 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.3 t -57.12 -37.19 71.62 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.24 0.927 . . . . 0.0 111.37 177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.44 92.1 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.83 0.852 . . . . 0.0 111.416 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -63.2 -51.68 65.35 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.43 0.692 . . . . 0.0 109.992 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.6 t -52.11 -47.87 42.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 125.033 1.333 . . . . 0.0 110.729 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.49 -50.37 73.98 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.167 0.587 . . . . 0.0 110.249 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.85 -52.15 40.75 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 123.835 0.731 . . . . 0.0 111.837 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -56.81 -43.56 81.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.263 1.025 . . . . 0.0 110.845 177.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.96 -44.18 90.24 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.427 0.691 . . . . 0.0 111.974 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -57.99 -48.33 80.32 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.062 0.945 . . . . 0.0 110.355 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -61.72 -51.59 67.73 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.516 0.726 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 tp -62.46 -38.03 88.2 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.095 0.558 . . . . 0.0 110.816 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -58.38 -67.04 0.39 Allowed 'General case' 0 C--N 1.341 0.197 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 172.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -49.79 -52.6 30.83 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.171 0.989 . . . . 0.0 111.734 -173.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.1 p -55.67 -24.21 32.83 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -176.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -88.75 -22.12 23.48 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.899 -176.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -161.38 76.66 2.37 Favored Pre-proline 0 CA--C 1.536 0.44 0 CA-C-N 119.116 0.871 . . . . 0.0 111.807 170.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.64 -46.34 32.44 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 124.412 3.408 . . . . 0.0 113.101 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.9 tttp . . . . . 0 C--O 1.251 1.14 0 CA-C-O 117.188 -1.387 . . . . 0.0 109.317 179.415 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.674 0 CA-C-O 120.605 0.24 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.62 -34.66 78.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.248 1.019 . . . . 0.0 111.806 178.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -136.57 96.02 3.26 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 57.19 -135.51 1.12 Allowed 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -175.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.89 17.28 8.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.999 1.32 . . . . 0.0 113.149 173.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.3 73.14 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 119.237 0.926 . . . . 0.0 113.353 -171.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -59.06 -60.26 4.15 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.16 0.584 . . . . 0.0 111.137 -177.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -67.15 -37.9 84.57 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.338 0.655 . . . . 0.0 111.32 -177.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -61.78 -51.11 69.66 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.755 0.822 . . . . 0.0 110.416 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.04 -54.36 47.86 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.654 0.781 . . . . 0.0 110.381 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -53.01 -51.24 62.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.989 0.916 . . . . 0.0 111.632 -179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -58.19 -50.36 73.81 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.045 0.938 . . . . 0.0 111.061 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -62.22 -45.5 93.08 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.404 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.2 t -55.65 -45.61 79.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.919 0.888 . . . . 0.0 110.64 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 mt -60.65 -56.66 18.57 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 173.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -85.75 56.61 4.04 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.373 1.069 . . . . 0.0 109.956 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.2 tpp -115.68 103.42 53.82 Favored Pre-proline 0 CA--C 1.536 0.43 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -45.32 -45.13 15.63 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 124.768 3.645 . . . . 0.0 116.27 -170.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -97.35 13.48 29.5 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -168.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -106.31 129.12 54.39 Favored 'General case' 0 C--N 1.342 0.279 0 CA-C-N 119.051 0.841 . . . . 0.0 110.461 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -89.7 178.54 6.23 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.005 0.922 . . . . 0.0 108.855 169.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.78 -49.72 14.74 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 125.519 1.528 . . . . 0.0 113.385 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -54.54 -60.15 3.74 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.086 0.554 . . . . 0.0 111.396 -173.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -62.95 -54.75 33.59 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 122.955 0.502 . . . . 0.0 111.222 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -61.06 -43.38 98.97 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -173.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.35 -41.74 98.88 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.293 0.497 . . . . 0.0 110.503 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.63 -50.26 54.36 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -64.83 -41.29 95.87 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 118.852 -0.594 . . . . 0.0 111.733 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -57.5 -45.69 85.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 118.994 0.816 . . . . 0.0 110.265 175.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -63.0 -41.87 99.7 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 119.185 -0.436 . . . . 0.0 111.049 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -58.76 -42.24 88.46 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.52 0.6 . . . . 0.0 111.052 175.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.22 -50.01 75.33 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.216 1.406 . . . . 0.0 109.475 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -57.96 -44.47 87.03 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.778 1.231 . . . . 0.0 111.077 178.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -65.67 -43.19 90.09 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 124.11 0.964 . . . . 0.0 111.072 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -130.26 80.7 70.13 Favored Pre-proline 0 CA--C 1.532 0.265 0 C-N-CA 124.047 0.939 . . . . 0.0 110.345 -176.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -50.81 -46.01 32.65 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 124.323 3.349 . . . . 0.0 112.285 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.2 p -50.05 -40.78 46.21 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.055 1.342 . . . . 0.0 112.056 177.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -89.8 18.58 5.46 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.876 0.87 . . . . 0.0 112.694 -175.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.5 p -49.62 -41.21 41.77 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.97 0.908 . . . . 0.0 112.369 176.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.8 -47.75 83.67 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.967 0.907 . . . . 0.0 111.82 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 54.2 m-80 -64.08 -48.25 76.9 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 122.831 0.452 . . . . 0.0 110.155 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -55.33 -45.02 77.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 124.506 1.122 . . . . 0.0 110.651 179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.38 -49.4 77.95 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.373 0.669 . . . . 0.0 110.078 174.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.58 -48.74 55.0 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 123.747 0.689 . . . . 0.0 112.136 177.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -60.92 -46.36 91.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.487 1.115 . . . . 0.0 110.797 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.76 95.0 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.317 0.647 . . . . 0.0 111.71 178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -68.28 -38.58 81.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.208 0.603 . . . . 0.0 110.875 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -63.46 -46.6 85.46 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.694 0.797 . . . . 0.0 110.318 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -54.18 47.26 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.518 1.127 . . . . 0.0 108.691 175.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -53.79 -48.11 70.14 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.779 0.832 . . . . 0.0 111.657 178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.83 -45.6 93.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.31 1.044 . . . . 0.0 111.202 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.0 p -62.7 -37.49 86.67 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.587 -0.244 . . . . 0.0 110.866 177.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -89.94 37.64 0.89 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.681 0.792 . . . . 0.0 111.46 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.28 124.63 91.28 Favored Pre-proline 0 CA--C 1.535 0.366 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 174.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -82.53 -161.1 0.14 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.597 2.864 . . . . 0.0 109.339 179.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.289 -1.339 . . . . 0.0 109.887 178.543 . . . . . . . . 0 0 . 1 stop_ save_